data_2mwq_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 2mwq _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 ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt . . . . . 0 C--O 1.235 0.295 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 C--O 1.222 -0.295 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.221 -0.427 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 113.88 0.684 . . . . 25.0 113.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.529 0.259 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt . . . . . 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.472 0.23 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.53 0.313 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.978 0.418 . . . . 25.0 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 113.443 0.516 . . . . 25.0 113.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HZ3' ' C ' ' A' ' 149' ' ' GLY . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.412 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.474 0.379 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 113.377 0.881 . . . . 25.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 114.156 0.791 . . . . 25.0 114.156 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 CA--C 1.533 0.473 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt . . . . . 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' A' ' 106' ' ' GLU . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 102' ' ' LYS . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 CA--C 1.534 0.479 0 N-CA-C 114.303 0.847 . . . . 25.0 114.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 CA--C 1.532 0.418 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.528 0.221 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.531 0.349 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.531 0.338 0 N-CA-C 114.571 0.95 . . . . 25.0 114.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.604 0.24 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 106' ' ' GLU . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 102' ' ' LYS . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 140' ' ' ASN . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 115.147 1.172 . . . . 25.0 115.147 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt . . . . . 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.528 0.208 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 121.095 0.474 . . . . 25.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 119.498 -0.287 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.45 64.74 8.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -130.07 151.19 77.91 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -76.26 84.65 1.8 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 O-C-N 122.32 0.642 . . . . 25.0 111.88 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 tt -141.99 159.15 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 8' ' ' GLY . 8.0 p -129.29 151.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.18 -10.63 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.716 0.769 . . . . 25.0 110.072 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' H ' HG23 ' A' ' 6' ' ' VAL . . . -90.15 -169.43 43.36 Favored Glycine 0 N--CA 1.454 -0.105 0 N-CA-C 110.23 -1.148 . . . . 25.0 110.23 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.09 150.5 77.4 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 116.883 -1.611 . . . . 25.0 111.686 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.4 160.95 43.69 Favored 'Trans proline' 0 C--O 1.238 0.512 0 C-N-CA 118.275 -0.683 . . . . 25.0 112.088 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -69.23 156.23 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 116.759 -1.694 . . . . 25.0 111.001 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.02 167.42 26.11 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 118.143 -0.772 . . . . 25.0 112.456 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.1 mt 73.05 153.94 0.14 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 25.0 112.084 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -83.57 140.23 32.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.274 -0.875 . . . . 25.0 110.876 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.09 157.19 33.06 Favored Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.984 -0.847 . . . . 25.0 110.984 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.46 -5.54 77.17 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.687 -0.768 . . . . 25.0 112.563 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.57 156.79 69.15 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.17 148.1 43.69 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 115.582 -2.478 . . . . 25.0 111.864 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.61 -178.14 47.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 p -122.17 31.58 6.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.81 -34.37 75.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.66 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -127.18 175.43 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 m -65.63 -23.23 66.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.018 0.437 . . . . 25.0 111.146 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -110.36 139.18 45.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.671 0.748 . . . . 25.0 110.303 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.89 -25.68 53.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.126 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.98 26.52 3.77 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -153.13 137.18 16.36 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 122.098 -0.377 . . . . 25.0 111.425 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.52 -51.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.682 0.614 . . . . 25.0 110.228 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.94 -35.95 4.42 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 111.543 -0.623 . . . . 25.0 111.543 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -159.14 150.93 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.46 72.85 77.79 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.808 0.337 . . . . 25.0 111.798 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.5 124.96 9.26 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 117.577 -1.149 . . . . 25.0 112.933 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -43.88 77.38 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -130.05 -7.63 4.39 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 tptp 43.21 -100.69 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -93.66 -0.8 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 HH11 ' CD ' ' A' ' 47' ' ' GLU . 27.6 ttm180 -59.65 -30.57 68.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.216 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -108.99 -4.53 16.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.266 0.555 . . . . 25.0 110.642 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.91 -39.72 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.382 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -123.82 156.23 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -69.44 169.21 19.03 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 117.132 -1.446 . . . . 25.0 109.715 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 99.97 4.78 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 122.429 -0.17 . . . . 25.0 110.771 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.22 164.23 31.44 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 116.689 -1.741 . . . . 25.0 111.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.45 -16.17 46.94 Favored 'Trans proline' 0 C--N 1.347 0.46 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' CD ' HH11 ' A' ' 37' ' ' ARG . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.22 36.63 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -137.74 163.44 48.24 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -61.78 146.18 96.76 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 116.15 -2.1 . . . . 25.0 111.405 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.03 -30.21 71.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.972 -1.013 . . . . 25.0 112.972 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.09 -61.16 2.19 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.08 -40.25 93.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.528 1.156 . . . . 25.0 110.866 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -71.71 -13.25 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.966 -1.016 . . . . 25.0 113.273 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 119.119 -0.467 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 38.23 55.18 1.75 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.625 2.083 . . . . 25.0 116.625 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -149.55 64.03 6.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 CA-C-O 121.098 0.475 . . . . 25.0 110.735 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.02 153.16 52.21 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 114.07 0.758 . . . . 25.0 114.07 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.7 pt -136.78 136.82 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -90.14 61.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.73 -33.04 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.109 -0.951 . . . . 25.0 110.135 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.43 -175.04 20.67 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.263 -1.135 . . . . 25.0 110.263 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.78 166.36 26.49 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 CA-C-N 118.985 1.392 . . . . 25.0 111.412 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -65.87 153.67 77.15 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.421 -1.253 . . . . 25.0 111.897 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.76 155.45 53.89 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 117.776 -1.016 . . . . 25.0 112.638 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.88 87.07 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 N-CA-C 114.136 0.783 . . . . 25.0 114.136 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt 58.6 13.91 2.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.739 1.215 . . . . 25.0 113.806 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 -2.9 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.575 0.702 . . . . 25.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.72 156.38 8.19 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 108.931 -1.667 . . . . 25.0 108.931 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 60.32 4.79 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.33 111.73 64.96 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -68.81 164.47 33.3 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 116.317 -1.989 . . . . 25.0 111.062 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.52 -128.79 2.48 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 109.44 -1.464 . . . . 25.0 109.44 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -73.65 -8.47 56.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 25.0 109.978 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.8 154.37 47.35 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.89 164.45 38.04 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -66.0 -38.15 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.904 1.816 . . . . 25.0 115.904 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -167.2 -49.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.301 0.572 . . . . 25.0 110.04 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -145.18 143.06 30.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 134.08 56.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.88 170.48 0.12 Allowed 'General case' 0 CA--C 1.546 0.79 0 O-C-N 124.973 1.421 . . . . 25.0 113.865 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.67 154.06 9.98 Favored Glycine 0 C--O 1.226 -0.354 0 CA-C-O 122.178 0.877 . . . . 25.0 115.031 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 p -83.08 -18.46 39.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.8 mt 66.63 128.01 0.03 OUTLIER Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.123 1.769 . . . . 25.0 113.548 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.44 159.53 36.06 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.395 -1.937 . . . . 25.0 112.646 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -68.65 -16.91 63.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.383 0.611 . . . . 25.0 111.1 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.1 p -83.69 -0.36 50.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.88 -46.86 84.26 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -136.9 -43.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -63.7 -24.45 67.78 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 113.966 1.098 . . . . 25.0 113.966 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.33 -11.65 60.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -107.56 -38.88 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.67 -37.1 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.349 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -124.05 147.55 54.59 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.12 142.03 59.76 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 113.526 -3.85 . . . . 25.0 108.035 164.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -60.65 109.89 2.45 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -85.82 163.41 10.51 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.531 0.935 . . . . 25.0 114.531 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.25 -20.71 27.76 Favored 'Trans proline' 0 C--N 1.353 0.8 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.33 75.5 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.05 81.85 26.15 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.72 52.2 3.88 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.189 1.259 . . . . 25.0 113.114 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -115.77 -141.5 0.37 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.415 -0.357 . . . . 25.0 110.643 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.71 -43.59 85.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.489 0.662 . . . . 25.0 111.885 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.83 -20.93 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.11 -35.94 76.37 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 122.072 -0.392 . . . . 25.0 109.982 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 120.339 0.114 . . . . 25.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 151.12 47.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -157.78 159.22 30.61 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.37 147.0 64.42 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 115.516 -2.523 . . . . 25.0 111.198 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.43 167.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.47 148.3 30.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.69 145.55 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.62 -161.15 46.06 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.724 -0.95 . . . . 25.0 110.724 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.82 161.98 42.32 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 CA-C-N 118.775 1.288 . . . . 25.0 112.241 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.14 160.94 47.84 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 117.76 -1.027 . . . . 25.0 111.999 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.18 160.04 50.54 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 O-C-N 121.778 0.357 . . . . 25.0 112.57 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -78.81 15.23 1.51 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.439 1.426 . . . . 25.0 115.146 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.87 161.36 42.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.805 -2.295 . . . . 25.0 104.805 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -143.53 177.57 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.675 0.274 . . . . 25.0 111.089 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.58 137.44 9.39 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 110.561 -1.015 . . . . 25.0 110.561 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.48 6.38 88.98 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.072 -0.585 . . . . 25.0 114.13 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -142.99 158.93 58.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.42 153.26 60.98 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 116.48 -1.88 . . . . 25.0 112.708 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.2 -165.43 32.95 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 106.828 -2.509 . . . . 25.0 106.828 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 p -72.32 -24.1 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.607 1.204 . . . . 25.0 110.532 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.73 -11.73 58.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 25.0 109.757 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 58.3 -163.0 0.21 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.342 1.057 . . . . 25.0 112.956 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -148.64 170.42 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.79 -1.93 . . . . 25.0 105.79 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -78.08 -31.89 50.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.876 0.37 . . . . 25.0 111.438 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -141.49 -39.6 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.695 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.02 -150.48 0.42 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.003 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -112.19 -34.02 6.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.21 -159.4 0.16 Allowed 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.389 1.055 . . . . 25.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.73 144.0 4.93 Favored Glycine 0 C--O 1.226 -0.393 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -114.29 133.82 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.5 123.02 84.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.91 157.82 27.35 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 117.12 -1.453 . . . . 25.0 113.776 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -106.84 148.24 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 173.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.5 p -74.16 147.3 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.807 -0.757 . . . . 25.0 109.019 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -142.38 143.32 32.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 63.85 -13.65 0.09 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -60.43 -29.23 68.87 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.896 -0.502 . . . . 25.0 110.527 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -65.31 -11.11 38.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -96.48 -24.3 16.16 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.052 0.453 . . . . 25.0 110.289 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.95 -45.17 11.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -123.96 152.85 67.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -65.43 146.17 84.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 114.916 -2.922 . . . . 25.0 108.878 170.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.8 119.27 53.1 Favored Pre-proline 0 CA--C 1.545 0.765 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.85 162.62 32.2 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 116.985 -1.543 . . . . 25.0 110.934 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -66.86 -17.64 52.02 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 117.906 -0.93 . . . . 25.0 113.88 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.48 76.04 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -144.97 81.25 10.75 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.265 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.74 47.84 1.78 Allowed 'Trans proline' 0 CA--C 1.547 1.171 0 C-N-CA 121.853 1.702 . . . . 25.0 115.81 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -132.93 -120.85 0.19 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.455 -0.778 . . . . 25.0 111.665 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.47 -41.47 88.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.181 0.901 . . . . 25.0 111.399 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.61 -37.78 79.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.296 -0.411 . . . . 25.0 110.217 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -61.11 -41.36 96.56 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.585 -0.245 . . . . 25.0 111.62 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -44.36 65.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 54.68 71.08 1.4 Allowed Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 123.152 0.581 . . . . 25.0 112.203 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.07 154.56 69.78 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 117.712 -1.059 . . . . 25.0 112.058 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.65 137.66 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.698 0.761 . . . . 25.0 110.909 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.31 -10.75 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.652 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.33 -24.44 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 50.92 59.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 117.584 1.794 . . . . 25.0 117.584 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.67 158.85 46.68 Favored 'Trans proline' 0 C--N 1.348 0.551 0 CA-C-N 120.071 1.936 . . . . 25.0 110.721 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.74 147.96 64.13 Favored 'Trans proline' 0 C--O 1.242 0.687 0 C-N-CA 115.447 -2.569 . . . . 25.0 111.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.1 147.19 66.55 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 117.36 -1.294 . . . . 25.0 112.336 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 160.1 31.31 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 118.088 -0.808 . . . . 25.0 113.615 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 mt 53.28 28.84 7.7 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 p -147.34 163.72 35.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 8.88 67.61 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 114.073 0.389 . . . . 25.0 114.073 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.91 -179.77 38.67 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.97 153.23 94.8 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.3 166.86 27.96 Favored 'Trans proline' 0 C--N 1.351 0.675 0 N-CA-C 113.936 0.706 . . . . 25.0 113.936 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.82 -24.08 4.91 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.609 -0.723 . . . . 25.0 111.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -70.31 154.52 41.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 51.3 32.24 8.05 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.36 -51.77 0.6 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.57 1.548 . . . . 25.0 113.661 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m 48.41 -143.7 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.353 0.661 . . . . 25.0 111.356 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -107.9 178.01 4.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.638 -1.986 . . . . 25.0 105.638 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -83.5 43.36 0.89 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.51 159.84 27.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.207 0.527 . . . . 25.0 110.427 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -157.04 141.96 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -128.64 178.88 6.01 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.76 164.73 12.91 Favored Glycine 0 C--O 1.222 -0.645 0 CA-C-O 120.993 0.219 . . . . 25.0 113.071 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -159.14 166.6 31.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.05 153.39 35.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 118.476 0.58 . . . . 25.0 111.809 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.78 161.97 30.08 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 117.607 -1.129 . . . . 25.0 112.488 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.45 67.03 9.18 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p 65.77 176.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.419 1.488 . . . . 25.0 112.397 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -142.96 -50.64 0.35 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.532 0.682 . . . . 25.0 111.947 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -87.52 -21.92 25.17 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.16 0.984 . . . . 25.0 111.75 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.61 -18.4 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.22 -25.99 9.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 25.0 111.12 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.13 -44.39 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.272 -0.422 . . . . 25.0 112.085 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -124.54 159.83 56.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.802 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -69.3 166.0 28.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 116.515 -1.857 . . . . 25.0 110.599 169.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.1 96.57 5.95 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 122.322 0.249 . . . . 25.0 110.8 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.18 160.53 39.46 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 117.351 -1.299 . . . . 25.0 112.3 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.57 -17.61 48.4 Favored 'Trans proline' 0 C--N 1.35 0.636 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.26 -20.73 20.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -72.47 148.25 90.44 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.19 162.2 36.91 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.973 -1.551 . . . . 25.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -48.72 -37.84 19.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.55 -57.31 5.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.39 -35.19 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.238 0.542 . . . . 25.0 110.886 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -57.76 -42.16 83.41 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 110.248 -0.278 . . . . 25.0 110.248 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.66 -20.43 58.46 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.045 0.45 . . . . 25.0 111.779 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -88.57 151.41 48.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 119.109 -0.472 . . . . 25.0 109.801 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -75.61 62.17 6.29 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.026 1.817 . . . . 25.0 111.644 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.89 9.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.825 0.821 . . . . 25.0 109.645 -173.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.85 124.41 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 25.0 109.852 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -84.39 138.36 19.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.47 -177.46 37.76 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.836 -1.305 . . . . 25.0 109.836 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.53 160.03 45.09 Favored 'Trans proline' 0 C--O 1.238 0.496 0 CA-C-N 118.671 1.235 . . . . 25.0 111.722 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -69.57 163.43 38.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.46 -1.227 . . . . 25.0 110.821 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.12 147.78 91.43 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 117.156 -1.429 . . . . 25.0 111.833 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.06 7.53 4.32 Favored 'Trans proline' 0 C--N 1.347 0.469 0 N-CA-C 115.867 1.449 . . . . 25.0 115.867 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.37 -72.3 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.1 p -160.35 158.63 29.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.31 -179.55 28.3 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.435 -0.412 . . . . 25.0 113.124 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.28 -176.12 47.92 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 105.752 -2.939 . . . . 25.0 105.752 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.91 149.97 31.5 Favored Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 118.478 1.139 . . . . 25.0 109.733 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.0 166.84 26.12 Favored 'Trans proline' 0 C--N 1.349 0.591 0 O-C-N 121.967 0.457 . . . . 25.0 111.701 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.09 21.86 66.91 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.499 -0.858 . . . . 25.0 113.848 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -64.91 -15.05 61.59 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 122.409 -0.465 . . . . 25.0 111.479 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.95 -12.0 59.95 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 t30 57.25 26.53 12.41 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.893 1.442 . . . . 25.0 114.893 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -77.96 -31.27 50.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.162 0.506 . . . . 25.0 109.841 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.24 179.5 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.6 90.4 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.48 124.53 17.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.005 0.907 . . . . 25.0 111.849 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -91.66 3.06 55.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.008 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 55.6 -136.22 1.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.273 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.24 24.01 49.39 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 109.761 -1.336 . . . . 25.0 109.761 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p -71.03 123.05 21.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.365 0.602 . . . . 25.0 110.006 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.19 78.98 75.17 Favored Pre-proline 0 N--CA 1.469 0.51 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.094 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.22 166.24 29.35 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 118.135 -0.776 . . . . 25.0 110.846 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -70.91 135.3 47.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -141.26 169.88 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm 41.89 74.13 0.12 Allowed 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.363 1.616 . . . . 25.0 115.363 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.0 28.26 14.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 167.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.47 36.27 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 114.633 1.345 . . . . 25.0 114.633 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -74.96 -10.52 59.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -112.11 -38.2 4.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.309 0.576 . . . . 25.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.66 -30.75 56.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.599 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -124.01 148.26 56.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.82 166.31 30.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 118.167 -0.755 . . . . 25.0 111.406 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -122.38 75.75 43.34 Favored Pre-proline 0 N--CA 1.469 0.498 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.55 165.54 31.53 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 118.286 -0.676 . . . . 25.0 110.921 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.24 -20.93 67.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.83 6.59 38.31 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -113.25 149.33 41.29 Favored Pre-proline 0 C--O 1.242 0.68 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -69.4 169.81 17.59 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 120.654 0.903 . . . . 25.0 112.317 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -46.27 -45.92 17.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.8 1.407 . . . . 25.0 114.8 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.52 -49.47 47.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.11 -33.53 76.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.783 -0.573 . . . . 25.0 110.062 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.77 -39.09 83.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.15 -0.928 . . . . 25.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.53 68.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.041 1.291 . . . . 25.0 111.386 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -126.59 152.26 74.28 Favored Pre-proline 0 C--O 1.246 0.875 0 N-CA-C 103.637 -2.727 . . . . 25.0 103.637 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.18 143.58 54.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 116.751 -1.7 . . . . 25.0 112.791 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -165.5 158.38 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -101.05 122.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.152 -2.166 . . . . 25.0 105.152 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 p -131.28 5.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.023 0.915 . . . . 25.0 111.804 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.56 -61.12 0.33 Allowed Glycine 0 C--O 1.229 -0.216 0 CA-C-O 119.136 -0.813 . . . . 25.0 112.428 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -69.08 157.63 60.98 Favored 'Trans proline' 0 C--O 1.239 0.564 0 C-N-CA 115.757 -2.362 . . . . 25.0 110.087 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.4 159.41 53.49 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 117.844 -0.971 . . . . 25.0 112.339 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.2 160.33 50.3 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 118.324 -0.651 . . . . 25.0 112.373 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.08 177.94 7.56 Favored 'Trans proline' 0 C--N 1.345 0.351 0 O-C-N 121.879 0.41 . . . . 25.0 111.387 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.15 155.24 28.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.117 -0.697 . . . . 25.0 109.117 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -58.36 150.7 21.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.942 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 36.35 0.42 Allowed Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.676 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.7 -176.27 40.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 106.428 -2.669 . . . . 25.0 106.428 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 51.06 62.31 11.66 Favored Pre-proline 0 N--CA 1.478 0.968 0 O-C-N 124.4 0.706 . . . . 25.0 112.204 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.36 146.0 55.29 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 115.594 -2.471 . . . . 25.0 112.0 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.8 -164.18 29.49 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.444 -1.463 . . . . 25.0 109.444 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.5 p -125.75 69.45 1.18 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.25 37.52 22.28 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.584 1.183 . . . . 25.0 111.468 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -72.36 141.75 48.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.48 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.9 p -131.64 27.38 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.341 0.591 . . . . 25.0 110.636 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -93.34 -132.02 0.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -71.03 160.6 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.37 135.67 49.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.106 0.479 . . . . 25.0 110.541 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -0.5 22.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.773 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.02 154.38 18.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.416 0.627 . . . . 25.0 111.592 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.8 165.7 15.83 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 110.312 -1.115 . . . . 25.0 110.312 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -158.65 151.2 21.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.23 153.72 90.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.66 -179.39 4.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 O-C-N 122.001 0.474 . . . . 25.0 111.605 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -62.36 164.01 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.697 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.72 93.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.73 142.1 53.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.45 -31.56 0.21 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 116.409 2.003 . . . . 25.0 116.409 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -61.39 -29.88 70.2 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.112 -0.992 . . . . 25.0 111.33 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -71.3 -5.1 29.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.86 -39.05 4.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 25.0 109.973 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.22 -34.88 79.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 110.072 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -123.98 156.47 65.76 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -65.68 152.18 82.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 115.724 -2.384 . . . . 25.0 109.893 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.21 111.4 3.69 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -174.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.55 148.73 20.77 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 114.892 -2.939 . . . . 25.0 111.732 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.42 -11.54 28.55 Favored 'Trans proline' 0 C--N 1.345 0.389 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.53 4.81 22.99 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 166.06 29.21 Favored Pre-proline 0 C--O 1.244 0.775 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.33 138.96 63.19 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 114.241 -3.373 . . . . 25.0 110.122 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -24.05 62.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 -167.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.86 -59.48 3.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.01 -35.13 79.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.048 0.928 . . . . 25.0 109.596 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -73.47 -13.12 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.081 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.206 -0.294 . . . . 25.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.1 151.88 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.915 -1.143 . . . . 25.0 107.915 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -159.73 148.63 13.98 Favored Pre-proline 0 C--O 1.243 0.757 0 N-CA-C 105.332 -2.099 . . . . 25.0 105.332 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.5 43.4 0.9 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.236 1.957 . . . . 25.0 117.121 -167.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.19 -11.96 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 t -143.02 -50.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-O 121.107 0.48 . . . . 25.0 110.47 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.58 118.23 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.945 0.402 . . . . 25.0 110.39 -175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 63.54 0.36 Allowed Glycine 0 C--O 1.226 -0.375 0 CA-C-O 119.1 -0.833 . . . . 25.0 113.389 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.45 147.35 70.97 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 116.374 -1.951 . . . . 25.0 112.289 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.52 157.04 45.1 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 117.533 -1.178 . . . . 25.0 112.72 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.21 169.78 21.68 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 118.349 -0.634 . . . . 25.0 110.501 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -69.57 -5.47 16.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 117.483 -1.212 . . . . 25.0 113.311 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.0 9.55 27.48 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.005 0.522 . . . . 25.0 110.238 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 m 72.11 157.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.495 1.518 . . . . 25.0 112.605 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.68 -170.42 39.01 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.019 -2.432 . . . . 25.0 107.019 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.58 179.07 46.13 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 118.091 0.945 . . . . 25.0 110.996 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.32 157.22 78.18 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -72.2 173.37 13.11 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.281 -1.346 . . . . 25.0 111.549 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.6 19.95 5.61 Favored Glycine 0 C--O 1.226 -0.402 0 N-CA-C 115.05 0.78 . . . . 25.0 115.05 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -127.44 137.15 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.27 -1.381 . . . . 25.0 107.27 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -75.6 -29.97 59.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.796 0.808 . . . . 25.0 109.807 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -100.89 36.22 2.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.256 -0.884 . . . . 25.0 112.829 -172.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 99.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.45 0.643 . . . . 25.0 112.438 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.07 -33.28 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.41 158.18 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.77 -1.105 . . . . 25.0 109.197 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 123.96 22.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.129 -0.357 . . . . 25.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 55.84 46.42 22.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.965 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.17 -165.55 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.703 -0.68 . . . . 25.0 109.714 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.01 24.27 13.27 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 -176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -82.79 122.09 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.433 -0.451 . . . . 25.0 110.412 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.7 90.8 23.15 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-O 121.126 0.488 . . . . 25.0 110.652 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.7 155.82 49.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.988 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -66.39 -19.93 65.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -151.4 151.12 31.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -157.25 -81.79 0.06 Allowed 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 106.158 -1.793 . . . . 25.0 106.158 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -99.11 7.01 46.26 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.121 0.962 . . . . 25.0 108.719 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -55.46 -40.32 71.45 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.096 -0.956 . . . . 25.0 113.033 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.43 -6.95 44.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.052 1.13 . . . . 25.0 114.052 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -107.22 -37.99 6.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.237 0.541 . . . . 25.0 109.845 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.01 -38.09 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 25.0 111.726 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -124.07 153.56 67.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 25.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.73 170.12 19.45 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 117.19 -1.406 . . . . 25.0 110.357 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.51 74.44 4.44 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 163.87 35.47 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 N-CA-C 113.235 0.437 . . . . 25.0 113.235 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.36 -18.44 49.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.21 27.72 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.38 150.13 93.64 Favored Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.33 156.2 61.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 116.516 -1.856 . . . . 25.0 109.875 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.84 -25.73 65.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -166.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -76.23 -43.22 43.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.528 0.68 . . . . 25.0 110.959 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -66.72 -31.49 72.18 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.345 -0.847 . . . . 25.0 109.946 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -59.33 -41.91 90.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.113 -0.47 . . . . 25.0 110.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.77 30.48 1.87 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 118.408 2.744 . . . . 25.0 118.408 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -145.92 117.35 4.97 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 157.5 52.65 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.788 -1.008 . . . . 25.0 110.943 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.9 pt -137.11 170.67 17.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.0 -30.92 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.246 0.546 . . . . 25.0 112.063 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.41 -22.95 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.778 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 -176.88 30.82 Favored Glycine 0 C--O 1.241 0.574 0 C-N-CA 121.013 -0.613 . . . . 25.0 114.251 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.99 167.56 26.36 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.915 2.41 . . . . 25.0 112.516 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.8 156.26 66.81 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 116.964 -1.558 . . . . 25.0 111.349 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.48 166.33 30.12 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 118.355 -0.63 . . . . 25.0 112.366 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -64.72 159.6 44.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 117.047 -1.502 . . . . 25.0 112.334 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt 66.6 9.3 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.528 1.131 . . . . 25.0 112.9 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 m -112.53 -1.07 15.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.88 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.55 -178.09 15.59 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 115.568 0.987 . . . . 25.0 115.568 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 154.49 29.39 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 114.692 -0.754 . . . . 25.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt 70.29 140.7 0.07 OUTLIER Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 125.742 1.617 . . . . 25.0 113.293 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.44 160.45 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 117.798 -1.002 . . . . 25.0 114.269 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.04 -38.93 2.61 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.671 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 t -137.11 140.4 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 104.085 -2.561 . . . . 25.0 104.085 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 47.95 -10.9 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 120.08 3.363 . . . . 25.0 120.08 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -143.01 167.52 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.846 0.748 . . . . 25.0 111.597 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -142.94 34.7 1.38 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.661 -0.7 . . . . 25.0 109.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -78.36 -177.43 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.107 -0.497 . . . . 25.0 112.05 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.76 40.25 3.39 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.967 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.97 75.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.797 0.332 . . . . 25.0 110.982 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 41.71 48.35 3.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.28 -30.56 70.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.846 -1.07 . . . . 25.0 113.557 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.48 -19.47 68.84 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -136.47 48.85 2.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.548 1.174 . . . . 25.0 111.833 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.97 146.72 95.29 Favored Pre-proline 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.738 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.53 140.88 37.12 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.728 -1.048 . . . . 25.0 114.561 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.23 69.01 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p 45.16 45.07 9.16 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.663 1.221 . . . . 25.0 110.355 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.0 141.52 45.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.237 -1.347 . . . . 25.0 109.951 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 69.28 -23.33 0.15 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.66 -25.44 68.13 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.602 -0.686 . . . . 25.0 110.619 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -87.32 -22.7 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.089 0.471 . . . . 25.0 110.674 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.78 -41.88 10.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.538 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -124.65 148.69 59.84 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 25.0 111.208 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.06 138.79 44.83 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 115.338 -2.641 . . . . 25.0 109.596 170.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -79.71 131.72 63.41 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 113.491 0.922 . . . . 25.0 113.491 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -75.46 167.11 27.3 Favored 'Trans proline' 0 C--O 1.244 0.782 0 N-CA-C 109.269 -1.089 . . . . 25.0 109.269 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -65.39 -13.76 41.44 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 116.245 -2.037 . . . . 25.0 113.443 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.11 91.52 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.69 77.44 69.19 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.64 32.25 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.575 0 N-CA-C 115.606 1.349 . . . . 25.0 115.606 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -118.32 -111.28 0.34 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.08 -58.93 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -172.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.68 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.825 -0.547 . . . . 25.0 112.401 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -58.05 -41.68 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.349 0.129 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.28 150.76 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 154.71 84.97 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -74.45 37.14 0.44 Allowed 'Trans proline' 0 C--N 1.353 0.811 0 N-CA-C 117.08 1.916 . . . . 25.0 117.08 -172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -17.37 6.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 172.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 8' ' ' GLY . 11.2 p -70.73 139.87 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 115.672 -0.694 . . . . 25.0 110.018 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.16 -18.25 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.255 0.55 . . . . 25.0 111.564 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' ' 6' ' ' VAL . . . -105.76 99.49 1.55 Allowed Glycine 0 CA--C 1.519 0.283 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.65 161.24 46.68 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 CA-C-N 119.783 1.792 . . . . 25.0 113.1 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.43 158.47 56.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.993 -0.871 . . . . 25.0 112.022 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.7 158.72 56.04 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 117.772 -1.019 . . . . 25.0 112.619 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 14' ' ' SER . 72.8 Cg_endo -68.14 165.95 26.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 118.526 -0.516 . . . . 25.0 111.527 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.82 -24.01 0.2 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.167 1.387 . . . . 25.0 112.349 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 12' ' ' PRO . 28.0 t -76.07 147.93 38.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 175.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.84 179.55 25.26 Favored Glycine 0 CA--C 1.516 0.151 0 C-N-CA 121.53 -0.367 . . . . 25.0 112.769 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.5 143.89 16.21 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 109.11 -1.596 . . . . 25.0 109.11 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.63 55.52 3.74 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -72.8 154.84 53.98 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 115.458 -2.561 . . . . 25.0 111.212 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.82 -68.79 0.01 OUTLIER Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.828 -0.701 . . . . 25.0 112.831 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 p -120.7 160.15 23.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 52.31 31.35 9.27 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 122.332 1.063 . . . . 25.0 112.83 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.98 -30.7 70.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.582 -0.735 . . . . 25.0 111.471 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m 49.56 48.62 21.17 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.958 0.786 . . . . 25.0 111.671 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -138.7 176.07 9.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.526 0.679 . . . . 25.0 112.573 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.03 163.13 33.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 103.954 -2.61 . . . . 25.0 103.954 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.51 43.73 29.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.589 0.709 . . . . 25.0 111.463 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -69.34 142.1 54.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.378 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t0 72.37 160.97 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.205 1.402 . . . . 25.0 113.362 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.3 59.83 4.87 Favored Glycine 0 C--O 1.229 -0.211 0 CA-C-N 116.044 -0.526 . . . . 25.0 113.556 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -135.15 147.41 49.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.227 0.537 . . . . 25.0 111.076 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.39 91.02 46.1 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.79 84.08 1.98 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 114.026 0.741 . . . . 25.0 114.026 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -132.59 -77.1 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 25.0 110.23 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.5 m -133.95 113.82 12.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -162.33 -68.19 0.05 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.769 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -125.97 -16.74 5.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -52.14 -44.54 64.61 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -78.52 -8.77 58.92 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -96.46 -29.33 13.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -82.19 -46.02 14.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.878 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -127.76 158.53 70.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -69.33 166.29 27.57 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.858 -1.628 . . . . 25.0 110.987 168.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.06 84.14 5.5 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.11 167.06 22.88 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 111.059 -0.4 . . . . 25.0 111.059 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -61.64 -13.72 31.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HZ3' ' C ' ' A' ' 149' ' ' GLY . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.59 66.38 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -132.0 71.63 79.99 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.209 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -78.54 34.71 0.51 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 N-CA-C 115.771 1.412 . . . . 25.0 115.771 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.0 -128.44 0.28 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 119.296 -0.383 . . . . 25.0 110.532 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -40.01 93.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.808 0.731 . . . . 25.0 111.435 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.72 -29.93 67.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.93 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -58.48 -45.02 89.52 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.412 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.499 1.975 0 CA-C-O 119.492 -0.29 . . . . 25.0 111.645 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.15 79.98 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 -174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 68.64 146.35 0.11 Allowed Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 125.368 1.467 . . . . 25.0 112.273 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.62 54.4 5.17 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 120.92 1.08 . . . . 25.0 113.162 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -136.25 138.63 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.377 0.608 . . . . 25.0 110.744 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -127.65 121.81 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -149.0 -47.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 111.865 0.32 . . . . 25.0 111.865 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.36 -85.62 0.4 Allowed Glycine 0 CA--C 1.519 0.321 0 CA-C-O 118.987 -0.896 . . . . 25.0 110.955 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.08 160.33 49.53 Favored 'Trans proline' 0 C--N 1.348 0.54 0 CA-C-N 119.763 1.782 . . . . 25.0 111.517 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.12 152.64 72.59 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.901 -1.6 . . . . 25.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.04 145.55 67.81 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 117.536 -1.176 . . . . 25.0 111.79 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.16 -14.81 28.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 N-CA-C 114.951 1.097 . . . . 25.0 114.951 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -109.59 14.29 23.5 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.504 0.322 . . . . 25.0 110.678 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t 59.31 -155.02 0.36 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.74 142.77 4.73 Favored Glycine 0 C--O 1.235 0.157 0 C-N-CA 120.549 -0.834 . . . . 25.0 113.664 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.78 -159.9 35.36 Favored Glycine 0 CA--C 1.516 0.146 0 N-CA-C 110.873 -0.891 . . . . 25.0 110.873 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.59 141.71 97.92 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.89 136.82 19.09 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 117.464 -1.224 . . . . 25.0 111.705 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.59 31.24 41.51 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.788 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -63.1 -15.43 56.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.217 0.821 . . . . 25.0 113.217 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -70.94 -14.62 62.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.001 -0.437 . . . . 25.0 110.71 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -97.04 13.38 29.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 m 56.73 -99.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.926 0.891 . . . . 25.0 113.339 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -84.63 -23.85 29.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.11 72.28 9.16 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.118 0.961 . . . . 25.0 111.372 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.34 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.239 -0.892 . . . . 25.0 110.265 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -91.33 18.97 6.42 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.06 144.06 26.41 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.86 -163.11 50.83 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.954 -0.641 . . . . 25.0 112.584 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m 63.53 109.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.59 85.86 7.83 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.633 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.18 152.23 44.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 116.696 -1.736 . . . . 25.0 112.313 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -68.74 -21.61 64.37 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 122.163 -0.336 . . . . 25.0 111.097 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.11 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 172.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp 44.62 -100.51 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.76 -23.86 66.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 25.0 112.379 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -61.4 -24.23 66.36 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.34 -28.76 70.22 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.15 -19.3 23.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.096 0.474 . . . . 25.0 110.734 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -92.78 -46.02 7.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.577 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -123.89 150.39 62.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 122.161 0.184 . . . . 25.0 110.761 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.09 141.75 58.84 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 114.612 -3.125 . . . . 25.0 109.368 168.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -73.6 123.32 89.29 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.14 166.92 28.41 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 117.848 0.267 . . . . 25.0 111.723 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -64.8 -16.19 54.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.04 -13.42 59.88 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -131.46 164.62 41.33 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.58 144.18 97.49 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 115.893 -2.271 . . . . 25.0 111.735 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.48 -27.5 67.07 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -169.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.1 -56.15 16.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.09 -29.68 67.53 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.474 1.131 . . . . 25.0 110.067 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -77.78 -12.89 60.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.1 -0.954 . . . . 25.0 113.377 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 119.431 -0.318 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -23.64 18.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.276 0.56 . . . . 25.0 111.218 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.28 153.11 96.23 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.84 97.25 0.8 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 118.186 -0.743 . . . . 25.0 113.321 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -157.43 144.07 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.44 134.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.8 t -134.9 -48.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.0 -64.09 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.08 -0.581 . . . . 25.0 114.245 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.83 163.24 35.99 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.743 -1.705 . . . . 25.0 111.033 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -69.39 157.11 62.3 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 115.976 -2.216 . . . . 25.0 110.644 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.48 157.29 61.47 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.835 -1.643 . . . . 25.0 111.536 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.47 -2.05 11.57 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 113.109 0.388 . . . . 25.0 113.109 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp 69.65 -31.01 0.2 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 p -68.75 -21.43 64.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 -159.71 22.45 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 109.654 -1.378 . . . . 25.0 109.654 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.78 155.38 26.37 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 107.78 -2.128 . . . . 25.0 107.78 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -156.91 156.88 30.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.21 160.63 48.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 116.561 -1.826 . . . . 25.0 112.114 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.65 20.97 57.32 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.975 -0.631 . . . . 25.0 112.548 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -131.89 165.26 24.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 54.59 -144.48 0.67 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.663 0.785 . . . . 25.0 112.365 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.06 158.48 18.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 m -56.76 132.41 52.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 25.0 111.337 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -116.38 -171.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.815 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -74.07 6.48 3.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.637 1.347 . . . . 25.0 114.637 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.78 62.75 2.53 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.761 1.023 . . . . 25.0 113.761 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.3 -48.19 82.49 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.86 -173.83 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.53 159.65 33.03 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 48.1 p -108.22 61.86 0.61 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 122.003 -0.704 . . . . 25.0 111.939 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -119.74 83.81 29.69 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.23 159.19 50.29 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.88 -0.947 . . . . 25.0 112.414 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -65.31 -27.13 68.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 p -137.81 146.48 43.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 25.0 112.226 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.33 -115.9 0.08 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.55 -2.759 . . . . 25.0 103.55 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -3.8 9.88 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.019 0.927 . . . . 25.0 111.287 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -53.09 -25.96 14.68 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 124.106 0.963 . . . . 25.0 112.847 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -63.75 -22.79 67.08 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -113.05 -35.6 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.363 . . . . 25.0 111.396 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.16 -33.92 75.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.804 0.335 . . . . 25.0 111.22 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -123.86 154.07 67.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.99 176.12 8.15 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 116.892 -1.605 . . . . 25.0 111.098 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.63 71.42 1.75 Allowed Pre-proline 0 CA--C 1.542 0.647 0 CA-C-O 121.182 0.515 . . . . 25.0 110.236 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.4 159.53 43.2 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 116.129 -2.114 . . . . 25.0 111.099 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -66.91 -16.54 50.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 117.997 -0.868 . . . . 25.0 114.156 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.27 8.45 7.4 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.05 164.45 43.89 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -63.65 135.44 48.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 114.623 -3.118 . . . . 25.0 109.319 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -27.25 65.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 25.0 112.224 -169.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.52 -45.48 75.64 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -71.34 -41.01 70.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.466 1.127 . . . . 25.0 109.617 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -70.4 -12.61 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 118.596 -0.716 . . . . 25.0 109.407 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.98 61.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.788 1.176 . . . . 25.0 108.632 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -127.83 160.44 61.14 Favored Pre-proline 0 C--O 1.24 0.571 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.7 53.76 4.77 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 120.717 0.945 . . . . 25.0 114.383 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tp -131.86 139.36 50.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.1 -53.58 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.567 -0.288 . . . . 25.0 111.615 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.96 -44.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.97 -157.66 19.21 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 110.31 -1.116 . . . . 25.0 110.31 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.42 158.06 58.82 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 119.334 1.567 . . . . 25.0 112.677 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.84 163.98 37.12 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 N-CA-C 113.215 0.429 . . . . 25.0 113.215 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -68.95 169.55 17.61 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 N-CA-C 110.641 -0.561 . . . . 25.0 110.641 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.33 8.95 1.62 Allowed 'Trans proline' 0 CA--C 1.539 0.742 0 N-CA-C 114.538 0.938 . . . . 25.0 114.538 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.92 157.16 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -65.28 -21.69 66.76 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 -150.88 51.37 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.02 -0.609 . . . . 25.0 111.795 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.27 -160.16 21.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 107.726 -2.15 . . . . 25.0 107.726 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.85 144.97 80.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 172.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.93 11.39 0.89 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 121.586 1.524 . . . . 25.0 115.93 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.56 1.49 28.38 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 117.26 1.664 . . . . 25.0 117.26 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -125.45 -0.27 7.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.874 1.337 . . . . 25.0 109.865 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.67 -14.48 14.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.341 0.591 . . . . 25.0 109.542 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -137.26 175.74 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 t -98.61 20.25 13.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.26 173.75 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 47.95 2.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.735 -1.58 . . . . 25.0 106.735 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.48 62.64 1.4 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -83.23 146.32 28.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.77 -36.08 73.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.34 46.77 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.7 m -75.45 136.32 40.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.615 0.708 . . . . 25.0 110.461 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.0 mt 52.6 67.47 3.89 Favored Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.45 163.33 38.43 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 117.451 -1.233 . . . . 25.0 111.95 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -72.19 36.97 0.07 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.936 1.828 . . . . 25.0 115.936 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -152.07 139.86 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.601 0.715 . . . . 25.0 110.816 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -150.29 84.8 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.329 -2.471 . . . . 25.0 104.329 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 60.28 16.06 5.87 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.758 1.266 . . . . 25.0 110.311 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -66.81 -27.95 67.98 Favored 'General case' 0 C--O 1.206 -1.209 0 CA-C-N 114.572 -1.194 . . . . 25.0 112.679 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.51 -10.1 59.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.95 -40.61 4.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 25.0 109.821 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.32 -34.51 63.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.282 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -123.98 154.65 67.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.03 163.24 39.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 114.905 -2.93 . . . . 25.0 108.573 166.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.49 80.11 2.57 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 121.11 0.481 . . . . 25.0 111.464 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.17 166.97 28.1 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 CA-C-N 117.659 0.199 . . . . 25.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.62 -15.56 50.64 Favored 'Trans proline' 0 C--N 1.35 0.625 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.28 95.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -132.08 80.64 63.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 107.751 -1.203 . . . . 25.0 107.751 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.2 22.6 0.32 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 N-CA-C 116.961 1.869 . . . . 25.0 116.961 -171.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -107.86 -130.48 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.751 -0.593 . . . . 25.0 110.955 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.28 -29.65 69.32 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 118.452 0.569 . . . . 25.0 111.978 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.64 -37.87 88.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.622 -0.674 . . . . 25.0 110.427 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -66.25 -38.6 88.24 Favored 'General case' 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' A' ' 106' ' ' GLU . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 102' ' ' LYS . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.87 139.23 30.94 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 67.52 151.85 0.12 Allowed Pre-proline 0 N--CA 1.484 1.272 0 O-C-N 124.987 1.429 . . . . 25.0 112.523 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.38 84.82 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-O 121.913 0.714 . . . . 25.0 112.082 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 pt -77.49 148.79 6.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.206 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.09 -8.43 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.448 0.642 . . . . 25.0 110.854 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -145.18 -24.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.4 -78.23 0.33 Allowed Glycine 0 CA--C 1.517 0.201 0 N-CA-C 111.011 -0.836 . . . . 25.0 111.011 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.77 158.94 55.23 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.1 1.45 . . . . 25.0 111.719 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.98 156.27 56.43 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 117.249 -1.367 . . . . 25.0 112.05 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.94 165.33 32.36 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 117.918 -0.922 . . . . 25.0 110.696 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.68 0.59 9.01 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.863 -0.958 . . . . 25.0 113.373 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -94.31 135.94 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -78.54 -14.4 59.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.34 129.86 9.36 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.806 -0.711 . . . . 25.0 112.146 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.85 -170.15 41.69 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.8 tp 50.28 80.11 0.31 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.75 16.7 1.25 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 N-CA-C 114.275 0.837 . . . . 25.0 114.275 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.32 -162.38 9.11 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 108.123 -1.991 . . . . 25.0 108.123 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.4 p -109.49 134.35 51.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.958 0.885 . . . . 25.0 110.788 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.45 137.97 58.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.515 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 t30 57.06 24.77 9.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.14 -0.936 . . . . 25.0 112.859 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 -38.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.369 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.78 174.78 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.38 -6.19 50.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.62 63.19 2.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.675 0.79 . . . . 25.0 112.65 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 90.4 -38.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 127.175 2.19 . . . . 25.0 113.245 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 18.6 t70 54.83 -144.67 0.67 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 -175.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.474 ' H ' ' CG ' ' A' ' 28' ' ' ASP . . . -168.8 16.97 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 CA-C-O 119.529 -0.595 . . . . 25.0 113.934 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.2 p -125.1 162.15 25.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.149 0.974 . . . . 25.0 111.217 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.28 73.61 79.88 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 122.447 0.299 . . . . 25.0 111.029 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -79.33 32.66 0.48 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 N-CA-C 115.275 1.221 . . . . 25.0 115.275 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -56.39 -38.74 71.9 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 p -89.54 -17.25 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.554 1.316 . . . . 25.0 114.554 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -43.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -90.54 -14.5 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.253 1.025 . . . . 25.0 108.709 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -74.84 -4.43 37.79 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.874 -1.057 . . . . 25.0 113.501 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.39 -16.09 58.0 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.635 -0.426 . . . . 25.0 110.419 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -123.96 -42.14 2.18 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.27 -28.81 62.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.869 0.322 . . . . 25.0 111.869 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -124.06 153.75 67.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.14 176.47 9.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 118.08 -0.813 . . . . 25.0 110.113 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -112.24 78.7 2.58 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 121.048 0.451 . . . . 25.0 111.27 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.34 161.7 39.82 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 116.633 -1.778 . . . . 25.0 110.498 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -69.41 -11.71 31.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.09 -1.474 . . . . 25.0 114.303 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.07 -10.78 59.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.44 165.85 28.6 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 119.453 -0.308 . . . . 25.0 110.204 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.74 145.64 94.97 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 115.06 -2.827 . . . . 25.0 111.201 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -69.83 -21.38 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.244 1.201 . . . . 25.0 114.244 -168.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -50.77 57.15 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -64.73 -28.53 69.65 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.23 1.014 . . . . 25.0 109.421 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -87.37 -12.88 45.01 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.405 -0.816 . . . . 25.0 113.152 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.529 -0.272 . . . . 25.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.75 -45.88 0.54 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.326 1.973 . . . . 25.0 116.326 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.84 73.75 0.91 Allowed Pre-proline 0 N--CA 1.48 1.042 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.33 149.54 88.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 115.174 -2.751 . . . . 25.0 109.218 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 pt -132.03 159.28 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.778 0.323 . . . . 25.0 110.969 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.82 -9.55 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -78.6 137.07 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.812 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.06 -58.93 4.15 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.433 -0.648 . . . . 25.0 113.589 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.88 168.03 19.83 Favored 'Trans proline' 0 C--N 1.351 0.692 0 CA-C-N 119.415 1.608 . . . . 25.0 110.158 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -62.1 149.7 89.43 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 116.017 -2.189 . . . . 25.0 113.143 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.31 154.83 71.22 Favored 'Trans proline' 0 C--N 1.347 0.488 0 N-CA-C 113.406 0.502 . . . . 25.0 113.406 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.26 171.88 17.42 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 113.982 0.724 . . . . 25.0 113.982 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.77 139.4 56.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.096 -0.956 . . . . 25.0 108.665 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 m 66.66 15.28 10.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.74 162.41 53.75 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.849 -1.3 . . . . 25.0 109.849 172.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.13 -103.59 0.3 Allowed Glycine 0 C--O 1.226 -0.4 0 CA-C-N 117.513 0.656 . . . . 25.0 112.841 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -75.26 158.26 84.05 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.64 -0.51 10.7 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.572 1.335 . . . . 25.0 115.572 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 179.47 51.78 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.132 -0.556 . . . . 25.0 114.032 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -88.51 0.46 56.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 25.0 111.709 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.442 0.904 . . . . 25.0 113.442 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -126.85 -21.83 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.4 t -159.16 141.93 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -71.16 -15.82 62.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.295 0.569 . . . . 25.0 111.207 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.08 -31.79 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.575 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 69.82 -43.47 0.53 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.821 1.648 . . . . 25.0 113.02 -173.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -163.12 163.25 25.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.043 -1.836 . . . . 25.0 106.043 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.72 116.58 5.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.587 0.708 . . . . 25.0 112.151 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.99 -62.13 2.53 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m 55.14 19.97 3.11 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 mt 68.11 154.77 0.14 Allowed Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 125.498 1.519 . . . . 25.0 112.781 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.48 150.46 84.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 115.579 -2.481 . . . . 25.0 111.971 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -56.81 14.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.9 p -125.7 155.14 41.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 121.93 -0.481 . . . . 25.0 110.369 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 -72.65 0.23 Allowed 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.37 -30.59 71.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.921 0.867 . . . . 25.0 112.938 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -58.64 -22.01 55.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -63.84 -24.16 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -98.75 -27.42 13.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.136 0.493 . . . . 25.0 111.647 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -88.21 -33.4 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -173.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.96 151.95 65.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -68.07 161.97 42.02 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 116.955 -1.563 . . . . 25.0 109.15 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -110.86 84.88 4.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.8 163.19 37.75 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 117.797 -1.002 . . . . 25.0 112.104 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -65.97 -14.86 46.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.13 63.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' HZ2' ' C ' ' A' ' 149' ' ' GLY . 13.7 mptt -76.35 153.05 83.98 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.254 -174.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.31 169.65 14.99 Favored 'Trans proline' 0 C--N 1.352 0.744 0 CA-C-N 118.043 0.337 . . . . 25.0 112.43 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -42.01 -51.54 4.44 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -172.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.53 -41.24 60.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.33 -176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.15 -29.44 69.73 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.625 -0.672 . . . . 25.0 111.04 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -61.49 -34.35 75.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.487 ' C ' ' HZ2' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 119.229 -0.415 . . . . 25.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.59 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -66.99 122.89 84.57 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -72.15 138.67 31.1 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.634 -1.777 . . . . 25.0 113.16 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 pt -144.61 161.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.51 -50.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 131.01 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 171.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.75 -61.41 5.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.344 -0.698 . . . . 25.0 112.965 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -68.88 160.55 49.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 116.55 -1.833 . . . . 25.0 110.635 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.12 152.29 76.47 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 116.176 -2.083 . . . . 25.0 112.867 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.88 146.94 54.56 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.018 -1.521 . . . . 25.0 111.732 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.91 -12.59 26.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.625 1.356 . . . . 25.0 115.625 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.44 4.02 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -150.34 -31.73 0.19 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -0.67 85.76 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.798 -0.921 . . . . 25.0 110.798 -176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.29 -151.33 20.63 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 108.415 -1.874 . . . . 25.0 108.415 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.8 mt 63.11 156.18 0.12 Allowed Pre-proline 0 N--CA 1.481 1.091 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.49 -10.98 20.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 N-CA-C 113.268 0.449 . . . . 25.0 113.268 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.46 -161.04 26.77 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 104.8 -3.32 . . . . 25.0 104.8 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.7 t -90.26 -4.26 57.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.486 1.143 . . . . 25.0 108.605 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.9 170.49 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.515 -0.766 . . . . 25.0 111.219 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.8 t30 40.51 74.95 0.09 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 117.77 2.507 . . . . 25.0 117.77 175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 -0.48 1.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.802 1.778 . . . . 25.0 115.802 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -27.73 45.35 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.153 0.502 . . . . 25.0 110.028 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -66.36 144.73 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 25.0 110.266 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.12 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -65.42 -39.19 91.82 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.189 -0.46 . . . . 25.0 112.193 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -151.36 93.08 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.009 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.39 -108.97 1.01 Allowed Glycine 0 C--O 1.225 -0.451 0 CA-C-N 116.23 -0.441 . . . . 25.0 114.03 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t 49.56 -167.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.49 138.46 74.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.608 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.75 171.65 16.87 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 117.159 -1.427 . . . . 25.0 111.698 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -45.81 122.87 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p 48.84 17.26 0.14 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -49.94 -55.75 13.28 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.822 1.786 . . . . 25.0 115.822 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.46 -13.53 34.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.432 0.634 . . . . 25.0 110.332 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -64.9 -28.04 69.27 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.359 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.62 -22.97 57.94 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.93 -31.42 8.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 25.0 111.18 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.48 -39.84 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -123.76 156.95 64.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 122.427 0.291 . . . . 25.0 110.614 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -68.57 156.45 65.5 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 115.618 -2.455 . . . . 25.0 110.32 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 84.58 6.85 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-O 121.466 0.65 . . . . 25.0 112.119 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -71.23 166.9 27.78 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.094 0.529 . . . . 25.0 112.876 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -65.8 -16.2 52.12 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.34 -27.85 64.69 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -141.76 73.73 23.32 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.99 29.48 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.913 0 N-CA-C 117.41 2.042 . . . . 25.0 117.41 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.31 -122.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.606 -0.684 . . . . 25.0 111.954 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.89 -39.78 94.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.405 0.621 . . . . 25.0 111.858 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.31 -32.26 73.63 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.031 -0.418 . . . . 25.0 111.007 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -63.43 -37.28 86.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 122.057 -0.402 . . . . 25.0 110.046 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.695 -0.193 . . . . 25.0 110.594 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 153.29 37.23 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.916 0.709 . . . . 25.0 112.916 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 47.12 64.17 8.93 Favored Pre-proline 0 N--CA 1.481 1.075 0 N-CA-C 114.56 1.318 . . . . 25.0 114.56 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -77.31 43.15 1.26 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 N-CA-C 114.702 1.001 . . . . 25.0 114.702 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.38 -45.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.348 -0.845 . . . . 25.0 109.061 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.41 -27.17 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.43 -16.35 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.808 0.813 . . . . 25.0 110.423 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.2 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.83 152.77 77.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 CA-C-N 118.961 1.381 . . . . 25.0 113.235 -173.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.09 162.43 34.34 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 117.565 -1.157 . . . . 25.0 112.058 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -68.25 164.13 33.55 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 115.517 -2.522 . . . . 25.0 108.49 169.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.63 -6.97 18.0 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.346 -1.303 . . . . 25.0 113.864 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.18 -3.09 54.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.044 0.538 . . . . 25.0 110.968 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 m -133.88 177.24 7.88 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 122.664 0.386 . . . . 25.0 110.106 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.92 -173.61 13.66 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.05 29.88 1.85 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-N 117.724 0.762 . . . . 25.0 114.6 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.66 80.35 55.23 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.328 0.651 . . . . 25.0 111.361 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.67 167.02 25.51 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 N-CA-C 109.798 -0.886 . . . . 25.0 109.798 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.72 29.75 0.44 Allowed Glycine 0 C--O 1.227 -0.304 0 C-N-CA 119.978 -1.106 . . . . 25.0 115.112 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -162.06 7.15 0.06 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.977 0.417 . . . . 25.0 111.429 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -100.85 161.02 13.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 25.0 110.207 -173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.75 121.27 11.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m 48.62 37.15 8.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.361 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -80.74 28.23 0.35 Allowed 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.64 -32.98 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.885 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.42 102.07 7.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -126.92 162.85 24.97 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.11 149.41 33.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.53 166.76 38.34 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 119.956 -1.116 . . . . 25.0 115.537 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -75.69 140.0 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 123.242 0.617 . . . . 25.0 111.257 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.23 152.2 70.64 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -71.56 100.89 1.08 Allowed 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-O 121.462 0.526 . . . . 25.0 112.739 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -58.17 -42.57 86.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -153.0 166.25 33.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.15 79.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 66.67 -30.73 0.15 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.965 2.209 . . . . 25.0 116.965 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -40.97 -38.13 0.92 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -59.28 -26.32 64.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.69 -21.12 55.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.45 . . . . 25.0 111.028 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.62 -44.6 4.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.523 . . . . 25.0 112.293 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -123.74 135.27 26.01 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 122.811 0.444 . . . . 25.0 111.046 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.64 155.32 54.52 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 116.911 -1.593 . . . . 25.0 112.297 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -84.98 144.44 41.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.231 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.65 157.14 40.15 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 116.247 -2.035 . . . . 25.0 110.662 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.38 -15.53 34.78 Favored 'Trans proline' 0 C--N 1.346 0.41 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.78 74.87 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -136.81 85.21 24.3 Favored Pre-proline 0 C--O 1.215 -0.712 0 CA-C-N 115.391 -0.822 . . . . 25.0 108.846 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -83.79 34.66 0.53 Allowed 'Trans proline' 0 CA--C 1.552 1.411 0 N-CA-C 117.25 1.981 . . . . 25.0 117.25 -172.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -108.39 -128.67 0.28 Allowed 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.989 -1.069 . . . . 25.0 112.615 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -76.05 -32.2 59.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.24 0.927 . . . . 25.0 110.834 -176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -25.17 65.86 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.78 -0.575 . . . . 25.0 109.605 176.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -34.55 77.85 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.648 -0.658 . . . . 25.0 109.947 171.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.43 -0.319 . . . . 25.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.88 61.31 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -149.08 146.34 21.2 Favored Pre-proline 0 N--CA 1.47 0.542 0 N-CA-C 103.294 -2.854 . . . . 25.0 103.294 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.02 99.02 0.95 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-O 121.843 0.685 . . . . 25.0 113.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.41 137.41 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.87 -43.23 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -148.96 152.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.39 171.99 13.98 Favored Glycine 0 N--CA 1.455 -0.039 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.79 151.1 57.01 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-N 119.01 1.405 . . . . 25.0 110.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.27 145.2 65.19 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 115.439 -2.574 . . . . 25.0 111.61 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.47 156.32 54.35 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 116.293 -2.005 . . . . 25.0 111.324 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.33 169.68 19.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 117.177 -1.415 . . . . 25.0 110.479 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.004 0.43 . . . . 25.0 111.535 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 p -89.44 6.7 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.414 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.57 115.42 4.08 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.082 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.92 -171.94 44.5 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 106.287 -2.725 . . . . 25.0 106.287 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt 49.9 63.81 9.52 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.07 153.93 62.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.35 -1.967 . . . . 25.0 112.223 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 10.71 72.58 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 121.26 -0.495 . . . . 25.0 111.973 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -138.66 168.26 20.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.46 -1.681 . . . . 25.0 106.46 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.12 -16.23 64.2 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 65.09 24.07 12.46 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.3 1.04 . . . . 25.0 111.618 -177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 t 58.74 -142.64 0.65 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 25.0 112.138 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.52 -20.0 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.109 0.48 . . . . 25.0 111.599 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -79.45 91.66 5.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.9 126.25 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -64.83 -35.9 82.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.26 -63.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.57 0.544 . . . . 25.0 110.003 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 171.58 43.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 114.416 0.526 . . . . 25.0 114.416 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 p -141.8 168.02 20.75 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.52 148.58 70.56 Favored Pre-proline 0 N--CA 1.467 0.385 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.57 153.76 39.38 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 118.418 -0.588 . . . . 25.0 112.322 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -114.9 -28.4 7.06 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.348 1.61 . . . . 25.0 115.348 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 p -129.52 -1.7 4.92 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 -172.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -60.25 110.13 1.16 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.516 0.191 . . . . 25.0 111.516 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 59.97 4.85 0.66 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.647 1.579 . . . . 25.0 113.901 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -64.63 -28.8 69.87 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.69 -12.95 62.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.92 -37.22 4.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.402 . . . . 25.0 110.844 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.96 -35.94 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.57 0.582 . . . . 25.0 112.57 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -123.9 153.52 67.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -71.02 171.6 15.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 116.553 -1.832 . . . . 25.0 108.432 163.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.8 81.71 2.67 Favored Pre-proline 0 N--CA 1.472 0.636 0 O-C-N 121.829 -0.544 . . . . 25.0 111.789 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.41 164.88 33.03 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 118.07 -0.82 . . . . 25.0 111.269 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.32 -20.02 66.19 Favored 'Trans proline' 0 C--N 1.349 0.587 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.28 -32.76 14.2 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' HD2' ' A' ' 97' ' ' PRO . 12.7 tptt -61.26 153.02 70.22 Favored Pre-proline 0 C--O 1.244 0.78 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD2' ' HG3' ' A' ' 96' ' ' LYS . 42.0 Cg_endo -60.86 153.15 65.15 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 115.545 -2.503 . . . . 25.0 111.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.07 -19.82 66.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 116.118 1.896 . . . . 25.0 116.118 -163.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -76.07 -44.02 40.9 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.58 170.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.27 -33.12 75.1 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.741 -0.6 . . . . 25.0 110.001 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -55.32 -38.37 68.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 119.778 -0.153 . . . . 25.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.07 60.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.505 0.503 . . . . 25.0 109.786 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -140.72 153.75 68.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -67.06 130.24 22.43 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 117.417 -1.255 . . . . 25.0 112.198 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -161.34 143.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.38 117.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 105.521 -2.029 . . . . 25.0 105.521 174.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.15 133.85 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.63 -122.58 8.52 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.02 165.41 32.86 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 119.628 1.714 . . . . 25.0 112.371 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.39 162.32 41.08 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 117.272 -1.352 . . . . 25.0 110.945 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.08 154.5 74.29 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 117.098 -1.468 . . . . 25.0 112.613 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.37 161.85 41.65 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.961 -0.893 . . . . 25.0 112.612 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.17 -35.29 76.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.255 0.55 . . . . 25.0 109.863 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -86.62 43.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.196 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -161.96 34.58 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 116.143 -0.481 . . . . 25.0 112.013 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.78 156.27 28.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 106.114 -2.794 . . . . 25.0 106.114 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 mt 69.52 158.07 0.15 Allowed Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.89 1.276 . . . . 25.0 109.187 -174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.67 156.84 60.17 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 113.554 -3.831 . . . . 25.0 113.564 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.73 -25.45 0.11 Allowed Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.565 -0.743 . . . . 25.0 113.881 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -100.1 -19.48 16.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.704 0.764 . . . . 25.0 110.136 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -102.05 176.86 5.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -120.33 175.31 6.02 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 122.194 -0.316 . . . . 25.0 110.512 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m 78.0 -36.33 0.21 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.562 1.545 . . . . 25.0 114.126 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -119.44 8.04 11.29 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.441 0.639 . . . . 25.0 110.606 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -48.01 -32.42 6.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 -173.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.84 52.01 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -124.71 74.94 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.6 0.714 . . . . 25.0 112.689 -170.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -68.68 89.53 0.38 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.764 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 -178.35 38.43 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 116.061 1.185 . . . . 25.0 116.061 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.2 p -137.36 159.48 41.81 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -127.41 81.22 70.48 Favored Pre-proline 0 N--CA 1.469 0.477 0 C-N-CA 122.577 0.351 . . . . 25.0 110.142 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.3 146.48 35.82 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 117.347 -1.302 . . . . 25.0 114.423 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -136.79 27.62 2.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.31 1.052 . . . . 25.0 108.379 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -133.63 -178.43 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.5 tptt 63.58 98.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.489 1.115 . . . . 25.0 111.474 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 61.31 3.98 0.85 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -58.32 -29.69 66.11 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 122.02 -0.425 . . . . 25.0 110.045 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -71.27 -14.79 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -112.95 -39.16 4.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.736 0.303 . . . . 25.0 111.111 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.13 -35.06 75.98 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.067 -0.346 . . . . 25.0 110.067 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -123.75 147.83 54.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.569 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.1 177.03 7.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 O-C-N 121.762 0.348 . . . . 25.0 111.29 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.49 57.45 0.53 Allowed Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -69.94 165.15 32.13 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 114.921 -2.92 . . . . 25.0 109.575 173.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -65.26 -17.5 58.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.571 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.13 95.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.38 83.46 43.66 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.82 28.9 0.28 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.146 1.897 . . . . 25.0 116.289 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -116.28 -114.17 0.34 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.564 -0.71 . . . . 25.0 111.497 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.02 -42.74 89.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.539 0.608 . . . . 25.0 111.872 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -61.08 -37.37 82.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.686 -0.233 . . . . 25.0 110.51 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -63.95 -36.14 82.99 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 122.031 -0.418 . . . . 25.0 110.58 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 106' ' ' GLU . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 102' ' ' LYS . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 140' ' ' ASN . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.475 -0.298 . . . . 25.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.14 42.2 16.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -157.9 112.55 1.78 Allowed Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.28 145.93 44.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.037 -2.175 . . . . 25.0 111.654 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.33 131.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.423 -2.065 . . . . 25.0 105.423 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.58 149.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.65 132.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.227 -1.398 . . . . 25.0 107.227 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.47 173.77 50.0 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.889 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.51 155.5 36.08 Favored 'Trans proline' 0 C--O 1.236 0.42 0 CA-C-N 118.506 1.153 . . . . 25.0 112.799 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -71.74 159.06 51.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 117.137 -1.442 . . . . 25.0 110.742 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.74 142.71 58.94 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 116.079 -2.148 . . . . 25.0 111.509 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.61 141.59 42.12 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 116.127 -2.115 . . . . 25.0 113.184 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt 52.68 28.58 6.37 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -140.61 147.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.65 -62.93 4.54 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 115.33 0.892 . . . . 25.0 115.33 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.88 179.63 29.33 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.102 -0.571 . . . . 25.0 112.284 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.76 172.16 6.5 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 104.604 -2.369 . . . . 25.0 104.604 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.6 146.38 84.34 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 115.52 -2.52 . . . . 25.0 115.497 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.07 -162.56 52.75 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.152 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -103.89 34.17 3.13 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 45.32 24.83 0.17 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.73 28.12 1.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.723 -0.61 . . . . 25.0 110.436 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -109.59 137.6 47.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.262 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.5 -24.94 60.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.91 89.4 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.3 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.99 92.88 2.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -156.26 140.29 16.36 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.51 159.73 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.727 0.298 . . . . 25.0 111.307 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -159.79 19.75 Favored Glycine 0 C--O 1.222 -0.616 0 C-N-CA 121.088 -0.577 . . . . 25.0 114.256 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.49 102.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.8 mt -133.16 128.89 20.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -80.84 -156.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 N-CA-C 109.13 -1.142 . . . . 25.0 109.13 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.99 128.1 34.78 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 p -125.43 -174.74 3.14 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.316 -1.365 . . . . 25.0 107.316 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 69.48 139.42 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.91 1.284 . . . . 25.0 112.038 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 51.86 39.27 25.46 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.97 0.89 . . . . 25.0 112.31 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.56 -21.93 11.72 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -65.56 -24.81 67.19 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.018 -0.426 . . . . 25.0 111.698 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -113.08 10.37 18.72 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.431 0.634 . . . . 25.0 111.423 -174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mp -77.83 1.92 18.84 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.711 -0.677 . . . . 25.0 112.132 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.14 156.81 1.69 Allowed Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 123.909 0.884 . . . . 25.0 111.768 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -65.82 149.7 86.5 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.78 -1.68 . . . . 25.0 113.826 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.98 159.88 59.61 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.89 160.24 42.1 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 116.989 -1.541 . . . . 25.0 109.658 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.92 -18.67 64.75 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 117.409 -1.261 . . . . 25.0 115.147 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.06 89.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.06 81.92 60.57 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.17 5.56 2.19 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 N-CA-C 117.299 2.0 . . . . 25.0 117.299 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -90.35 -132.06 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.992 -0.443 . . . . 25.0 112.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.63 -26.38 66.2 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.587 -0.695 . . . . 25.0 111.637 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.16 -39.0 91.16 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.86 174.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.55 -39.4 84.99 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 110.651 -0.129 . . . . 25.0 110.651 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.04 167.49 26.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -148.46 146.74 23.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.52 94.81 1.06 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 N-CA-C 113.842 0.67 . . . . 25.0 113.842 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -156.02 143.6 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -126.0 109.41 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 103.142 -2.91 . . . . 25.0 103.142 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.73 151.03 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -175.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.36 -58.93 0.41 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.505 -0.608 . . . . 25.0 112.959 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -73.0 167.79 26.44 Favored 'Trans proline' 0 C--N 1.35 0.643 0 CA-C-N 119.245 1.523 . . . . 25.0 112.023 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 159.26 52.4 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 116.703 -1.731 . . . . 25.0 110.943 175.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.35 157.51 61.39 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.955 -0.897 . . . . 25.0 112.714 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -70.42 163.3 39.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 CA-C-O 121.52 0.55 . . . . 25.0 113.415 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -17.4 64.86 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -150.35 148.75 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.53 -175.55 19.27 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 109.3 -1.52 . . . . 25.0 109.3 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.04 -175.9 35.94 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp 64.98 161.03 0.12 Allowed Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 124.695 1.198 . . . . 25.0 112.15 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.09 148.82 70.27 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.395 -3.27 . . . . 25.0 110.825 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -161.35 -166.89 20.97 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -64.84 -4.32 4.3 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.743 1.386 . . . . 25.0 114.743 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -157.51 133.09 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 t -79.68 -40.45 29.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.511 1.671 . . . . 25.0 115.511 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.4 20.49 2.4 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -171.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -57.83 -39.54 77.9 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 44.62 4.21 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.343 0.592 . . . . 25.0 111.497 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.31 93.39 1.9 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.21 -172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 t0 67.35 173.81 0.26 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.833 1.253 . . . . 25.0 109.715 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.71 25.85 66.45 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 108.887 -1.685 . . . . 25.0 108.887 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -60.49 136.67 58.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -0.691 . . . . 25.0 111.133 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.6 158.44 74.28 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.78 -174.16 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 N-CA-C 113.805 0.656 . . . . 25.0 113.805 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -46.96 -49.36 20.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.873 0.469 . . . . 25.0 111.302 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m 64.52 -48.55 0.31 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -63.68 -18.72 64.27 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 124.188 0.995 . . . . 25.0 109.774 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -58.62 -20.44 47.5 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.229 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -26.94 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.391 -0.818 . . . . 25.0 111.731 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.04 -16.62 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.185 -0.322 . . . . 25.0 110.804 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.37 24.65 10.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.695 0.798 . . . . 25.0 109.884 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.48 1.64 21.61 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -69.43 164.64 47.68 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.08 132.94 38.72 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 113.187 -4.075 . . . . 25.0 109.702 172.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.78 153.16 66.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -69.2 160.49 49.64 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 116.783 -1.678 . . . . 25.0 111.536 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.64 -18.74 65.54 Favored 'Trans proline' 0 C--N 1.345 0.371 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.87 -25.49 48.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -65.87 146.42 99.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.69 168.35 20.3 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 117.955 -0.896 . . . . 25.0 112.589 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -34.49 -54.68 0.53 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.853 2.168 . . . . 25.0 116.853 -173.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -84.51 -34.34 23.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.553 0.945 . . . . 25.0 113.553 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.44 -36.0 82.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.603 -0.686 . . . . 25.0 110.053 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.21 -33.88 69.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.808 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 65' ' ' PHE . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt . . . . . 0 C--O 1.235 0.295 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 111' ' ' LEU . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 C--O 1.222 -0.295 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.221 -0.427 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 113.88 0.684 . . . . 25.0 113.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 56' ' ' ALA . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.529 0.259 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 138' ' ' VAL . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 66' ' ' ILE . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 63' ' ' LYS . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt . . . . . 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 138' ' ' VAL . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 134' ' ' TYR . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.472 0.23 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 115' ' ' ILE . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 78' ' ' LEU . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.53 0.313 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.978 0.418 . . . . 25.0 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.608 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.566 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 113.443 0.516 . . . . 25.0 113.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 56' ' ' ALA . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.474 0.379 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 119' ' ' ASP . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 113.377 0.881 . . . . 25.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.451 HD11 HD13 ' A' ' 141' ' ' ILE . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 74' ' ' LEU . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.519 HG23 ' HB1' ' A' ' 56' ' ' ALA . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 114.156 0.791 . . . . 25.0 114.156 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 56' ' ' ALA . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 CA--C 1.533 0.473 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt . . . . . 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 74' ' ' LEU . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.599 HG23 ' HB1' ' A' ' 56' ' ' ALA . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 CA--C 1.534 0.479 0 N-CA-C 114.303 0.847 . . . . 25.0 114.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 82' ' ' ALA . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 CA--C 1.532 0.418 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.559 HG23 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.528 0.221 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 118' ' ' LEU . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.553 HG23 ' HB1' ' A' ' 56' ' ' ALA . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.531 0.349 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.478 HG23 ' HB1' ' A' ' 56' ' ' ALA . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.531 0.338 0 N-CA-C 114.571 0.95 . . . . 25.0 114.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' A' ' 65' ' ' PHE . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 73' ' ' SER . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.4 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.604 0.24 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.582 HG23 ' HB1' ' A' ' 56' ' ' ALA . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 115.147 1.172 . . . . 25.0 115.147 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLU . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt . . . . . 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 141' ' ' ILE . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.55 HG23 ' HB1' ' A' ' 56' ' ' ALA . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.528 0.208 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 121.095 0.474 . . . . 25.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 141' ' ' ILE . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 111' ' ' LEU . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 119.498 -0.287 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.45 64.74 8.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -130.07 151.19 77.91 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -76.26 84.65 1.8 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 O-C-N 122.32 0.642 . . . . 25.0 111.88 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 tt -141.99 159.15 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG22 ' H ' ' A' ' 8' ' ' GLY . 8.0 p -129.29 151.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.18 -10.63 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.716 0.769 . . . . 25.0 110.072 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -90.15 -169.43 43.36 Favored Glycine 0 N--CA 1.454 -0.105 0 N-CA-C 110.23 -1.148 . . . . 25.0 110.23 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.09 150.5 77.4 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 116.883 -1.611 . . . . 25.0 111.686 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.4 160.95 43.69 Favored 'Trans proline' 0 C--O 1.238 0.512 0 C-N-CA 118.275 -0.683 . . . . 25.0 112.088 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -69.23 156.23 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 116.759 -1.694 . . . . 25.0 111.001 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.02 167.42 26.11 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 118.143 -0.772 . . . . 25.0 112.456 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.1 mt 73.05 153.94 0.14 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 25.0 112.084 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -83.57 140.23 32.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.274 -0.875 . . . . 25.0 110.876 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.09 157.19 33.06 Favored Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.984 -0.847 . . . . 25.0 110.984 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.46 -5.54 77.17 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.687 -0.768 . . . . 25.0 112.563 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.57 156.79 69.15 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.17 148.1 43.69 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 115.582 -2.478 . . . . 25.0 111.864 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.61 -178.14 47.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 p -122.17 31.58 6.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.81 -34.37 75.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.66 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -127.18 175.43 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 m -65.63 -23.23 66.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.018 0.437 . . . . 25.0 111.146 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -110.36 139.18 45.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.671 0.748 . . . . 25.0 110.303 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.89 -25.68 53.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.126 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.98 26.52 3.77 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -153.13 137.18 16.36 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 122.098 -0.377 . . . . 25.0 111.425 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.52 -51.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.682 0.614 . . . . 25.0 110.228 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.94 -35.95 4.42 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 111.543 -0.623 . . . . 25.0 111.543 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -159.14 150.93 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.46 72.85 77.79 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.808 0.337 . . . . 25.0 111.798 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.5 124.96 9.26 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 117.577 -1.149 . . . . 25.0 112.933 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -43.88 77.38 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -130.05 -7.63 4.39 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 tptp 43.21 -100.69 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -93.66 -0.8 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH11 ' CD ' ' A' ' 47' ' ' GLU . 27.6 ttm180 -59.65 -30.57 68.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.216 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -108.99 -4.53 16.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.266 0.555 . . . . 25.0 110.642 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.91 -39.72 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.382 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -123.82 156.23 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -69.44 169.21 19.03 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 117.132 -1.446 . . . . 25.0 109.715 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 99.97 4.78 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 122.429 -0.17 . . . . 25.0 110.771 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.22 164.23 31.44 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 116.689 -1.741 . . . . 25.0 111.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.45 -16.17 46.94 Favored 'Trans proline' 0 C--N 1.347 0.46 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' CD ' HH11 ' A' ' 37' ' ' ARG . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 65' ' ' PHE . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.22 36.63 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -137.74 163.44 48.24 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -61.78 146.18 96.76 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 116.15 -2.1 . . . . 25.0 111.405 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.03 -30.21 71.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.972 -1.013 . . . . 25.0 112.972 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.09 -61.16 2.19 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.08 -40.25 93.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.528 1.156 . . . . 25.0 110.866 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -71.71 -13.25 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.966 -1.016 . . . . 25.0 113.273 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 111' ' ' LEU . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 119.119 -0.467 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 38.23 55.18 1.75 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.625 2.083 . . . . 25.0 116.625 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -149.55 64.03 6.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 CA-C-O 121.098 0.475 . . . . 25.0 110.735 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.02 153.16 52.21 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 114.07 0.758 . . . . 25.0 114.07 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.7 pt -136.78 136.82 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -90.14 61.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.73 -33.04 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.109 -0.951 . . . . 25.0 110.135 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.43 -175.04 20.67 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.263 -1.135 . . . . 25.0 110.263 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.78 166.36 26.49 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 CA-C-N 118.985 1.392 . . . . 25.0 111.412 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -65.87 153.67 77.15 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.421 -1.253 . . . . 25.0 111.897 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.76 155.45 53.89 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 117.776 -1.016 . . . . 25.0 112.638 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.88 87.07 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 N-CA-C 114.136 0.783 . . . . 25.0 114.136 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt 58.6 13.91 2.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.739 1.215 . . . . 25.0 113.806 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 -2.9 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.575 0.702 . . . . 25.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.72 156.38 8.19 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 108.931 -1.667 . . . . 25.0 108.931 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 60.32 4.79 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.33 111.73 64.96 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -68.81 164.47 33.3 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 116.317 -1.989 . . . . 25.0 111.062 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.52 -128.79 2.48 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 109.44 -1.464 . . . . 25.0 109.44 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -73.65 -8.47 56.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 25.0 109.978 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.8 154.37 47.35 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.89 164.45 38.04 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -66.0 -38.15 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.904 1.816 . . . . 25.0 115.904 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -167.2 -49.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.301 0.572 . . . . 25.0 110.04 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -145.18 143.06 30.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 134.08 56.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.88 170.48 0.12 Allowed 'General case' 0 CA--C 1.546 0.79 0 O-C-N 124.973 1.421 . . . . 25.0 113.865 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.67 154.06 9.98 Favored Glycine 0 C--O 1.226 -0.354 0 CA-C-O 122.178 0.877 . . . . 25.0 115.031 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 p -83.08 -18.46 39.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.8 mt 66.63 128.01 0.03 OUTLIER Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.123 1.769 . . . . 25.0 113.548 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.44 159.53 36.06 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.395 -1.937 . . . . 25.0 112.646 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -68.65 -16.91 63.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.383 0.611 . . . . 25.0 111.1 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.1 p -83.69 -0.36 50.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.88 -46.86 84.26 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -136.9 -43.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -63.7 -24.45 67.78 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 113.966 1.098 . . . . 25.0 113.966 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.33 -11.65 60.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -107.56 -38.88 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.67 -37.1 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.349 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -124.05 147.55 54.59 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.12 142.03 59.76 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 113.526 -3.85 . . . . 25.0 108.035 164.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -60.65 109.89 2.45 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -85.82 163.41 10.51 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.531 0.935 . . . . 25.0 114.531 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.25 -20.71 27.76 Favored 'Trans proline' 0 C--N 1.353 0.8 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.33 75.5 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.05 81.85 26.15 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.72 52.2 3.88 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.189 1.259 . . . . 25.0 113.114 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -115.77 -141.5 0.37 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.415 -0.357 . . . . 25.0 110.643 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.71 -43.59 85.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.489 0.662 . . . . 25.0 111.885 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.83 -20.93 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.11 -35.94 76.37 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 122.072 -0.392 . . . . 25.0 109.982 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 120.339 0.114 . . . . 25.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 151.12 47.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -157.78 159.22 30.61 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.37 147.0 64.42 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 115.516 -2.523 . . . . 25.0 111.198 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.43 167.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.47 148.3 30.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.69 145.55 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.62 -161.15 46.06 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.724 -0.95 . . . . 25.0 110.724 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.82 161.98 42.32 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 CA-C-N 118.775 1.288 . . . . 25.0 112.241 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.14 160.94 47.84 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 117.76 -1.027 . . . . 25.0 111.999 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.18 160.04 50.54 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 O-C-N 121.778 0.357 . . . . 25.0 112.57 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -78.81 15.23 1.51 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.439 1.426 . . . . 25.0 115.146 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.87 161.36 42.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.805 -2.295 . . . . 25.0 104.805 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -143.53 177.57 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.675 0.274 . . . . 25.0 111.089 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.58 137.44 9.39 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 110.561 -1.015 . . . . 25.0 110.561 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.48 6.38 88.98 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.072 -0.585 . . . . 25.0 114.13 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -142.99 158.93 58.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.42 153.26 60.98 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 116.48 -1.88 . . . . 25.0 112.708 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.2 -165.43 32.95 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 106.828 -2.509 . . . . 25.0 106.828 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 p -72.32 -24.1 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.607 1.204 . . . . 25.0 110.532 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.73 -11.73 58.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 25.0 109.757 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 58.3 -163.0 0.21 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.342 1.057 . . . . 25.0 112.956 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -148.64 170.42 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.79 -1.93 . . . . 25.0 105.79 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -78.08 -31.89 50.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.876 0.37 . . . . 25.0 111.438 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -141.49 -39.6 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.695 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.02 -150.48 0.42 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.003 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -112.19 -34.02 6.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.21 -159.4 0.16 Allowed 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.389 1.055 . . . . 25.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.73 144.0 4.93 Favored Glycine 0 C--O 1.226 -0.393 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -114.29 133.82 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.5 123.02 84.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.91 157.82 27.35 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 117.12 -1.453 . . . . 25.0 113.776 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -106.84 148.24 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 173.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.5 p -74.16 147.3 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.807 -0.757 . . . . 25.0 109.019 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -142.38 143.32 32.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 63.85 -13.65 0.09 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -60.43 -29.23 68.87 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.896 -0.502 . . . . 25.0 110.527 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -65.31 -11.11 38.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -96.48 -24.3 16.16 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.052 0.453 . . . . 25.0 110.289 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.95 -45.17 11.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -123.96 152.85 67.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -65.43 146.17 84.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 114.916 -2.922 . . . . 25.0 108.878 170.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.8 119.27 53.1 Favored Pre-proline 0 CA--C 1.545 0.765 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.85 162.62 32.2 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 116.985 -1.543 . . . . 25.0 110.934 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -66.86 -17.64 52.02 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 117.906 -0.93 . . . . 25.0 113.88 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.48 76.04 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -144.97 81.25 10.75 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.265 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.74 47.84 1.78 Allowed 'Trans proline' 0 CA--C 1.547 1.171 0 C-N-CA 121.853 1.702 . . . . 25.0 115.81 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -132.93 -120.85 0.19 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.455 -0.778 . . . . 25.0 111.665 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.47 -41.47 88.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.181 0.901 . . . . 25.0 111.399 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.61 -37.78 79.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.296 -0.411 . . . . 25.0 110.217 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -61.11 -41.36 96.56 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 56' ' ' ALA . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.585 -0.245 . . . . 25.0 111.62 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -44.36 65.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 54.68 71.08 1.4 Allowed Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 123.152 0.581 . . . . 25.0 112.203 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.07 154.56 69.78 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 117.712 -1.059 . . . . 25.0 112.058 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.65 137.66 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.698 0.761 . . . . 25.0 110.909 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.31 -10.75 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.652 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.33 -24.44 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 50.92 59.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 117.584 1.794 . . . . 25.0 117.584 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.67 158.85 46.68 Favored 'Trans proline' 0 C--N 1.348 0.551 0 CA-C-N 120.071 1.936 . . . . 25.0 110.721 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.74 147.96 64.13 Favored 'Trans proline' 0 C--O 1.242 0.687 0 C-N-CA 115.447 -2.569 . . . . 25.0 111.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.1 147.19 66.55 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 117.36 -1.294 . . . . 25.0 112.336 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 160.1 31.31 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 118.088 -0.808 . . . . 25.0 113.615 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 mt 53.28 28.84 7.7 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 p -147.34 163.72 35.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 8.88 67.61 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 114.073 0.389 . . . . 25.0 114.073 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.91 -179.77 38.67 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.97 153.23 94.8 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.3 166.86 27.96 Favored 'Trans proline' 0 C--N 1.351 0.675 0 N-CA-C 113.936 0.706 . . . . 25.0 113.936 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.82 -24.08 4.91 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.609 -0.723 . . . . 25.0 111.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -70.31 154.52 41.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 51.3 32.24 8.05 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.36 -51.77 0.6 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.57 1.548 . . . . 25.0 113.661 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m 48.41 -143.7 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.353 0.661 . . . . 25.0 111.356 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -107.9 178.01 4.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.638 -1.986 . . . . 25.0 105.638 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -83.5 43.36 0.89 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.51 159.84 27.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.207 0.527 . . . . 25.0 110.427 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -157.04 141.96 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -128.64 178.88 6.01 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.76 164.73 12.91 Favored Glycine 0 C--O 1.222 -0.645 0 CA-C-O 120.993 0.219 . . . . 25.0 113.071 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -159.14 166.6 31.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.05 153.39 35.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 118.476 0.58 . . . . 25.0 111.809 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.78 161.97 30.08 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 117.607 -1.129 . . . . 25.0 112.488 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.45 67.03 9.18 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p 65.77 176.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.419 1.488 . . . . 25.0 112.397 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -142.96 -50.64 0.35 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.532 0.682 . . . . 25.0 111.947 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -87.52 -21.92 25.17 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.16 0.984 . . . . 25.0 111.75 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.61 -18.4 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.22 -25.99 9.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 25.0 111.12 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.13 -44.39 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.272 -0.422 . . . . 25.0 112.085 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -124.54 159.83 56.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.802 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -69.3 166.0 28.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 116.515 -1.857 . . . . 25.0 110.599 169.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.1 96.57 5.95 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 122.322 0.249 . . . . 25.0 110.8 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.18 160.53 39.46 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 117.351 -1.299 . . . . 25.0 112.3 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.57 -17.61 48.4 Favored 'Trans proline' 0 C--N 1.35 0.636 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 138' ' ' VAL . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 66' ' ' ILE . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 63' ' ' LYS . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.26 -20.73 20.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -72.47 148.25 90.44 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.19 162.2 36.91 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.973 -1.551 . . . . 25.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -48.72 -37.84 19.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -172.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.55 -57.31 5.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.39 -35.19 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.238 0.542 . . . . 25.0 110.886 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -57.76 -42.16 83.41 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 138' ' ' VAL . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 134' ' ' TYR . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 110.248 -0.278 . . . . 25.0 110.248 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.66 -20.43 58.46 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.045 0.45 . . . . 25.0 111.779 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -88.57 151.41 48.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 119.109 -0.472 . . . . 25.0 109.801 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -75.61 62.17 6.29 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.026 1.817 . . . . 25.0 111.644 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.89 9.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.825 0.821 . . . . 25.0 109.645 -173.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.85 124.41 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 25.0 109.852 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -84.39 138.36 19.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.47 -177.46 37.76 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.836 -1.305 . . . . 25.0 109.836 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.53 160.03 45.09 Favored 'Trans proline' 0 C--O 1.238 0.496 0 CA-C-N 118.671 1.235 . . . . 25.0 111.722 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -69.57 163.43 38.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.46 -1.227 . . . . 25.0 110.821 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.12 147.78 91.43 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 117.156 -1.429 . . . . 25.0 111.833 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.06 7.53 4.32 Favored 'Trans proline' 0 C--N 1.347 0.469 0 N-CA-C 115.867 1.449 . . . . 25.0 115.867 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.37 -72.3 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.1 p -160.35 158.63 29.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.31 -179.55 28.3 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.435 -0.412 . . . . 25.0 113.124 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.28 -176.12 47.92 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 105.752 -2.939 . . . . 25.0 105.752 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.91 149.97 31.5 Favored Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 118.478 1.139 . . . . 25.0 109.733 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.0 166.84 26.12 Favored 'Trans proline' 0 C--N 1.349 0.591 0 O-C-N 121.967 0.457 . . . . 25.0 111.701 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.09 21.86 66.91 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.499 -0.858 . . . . 25.0 113.848 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -64.91 -15.05 61.59 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 122.409 -0.465 . . . . 25.0 111.479 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.95 -12.0 59.95 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 t30 57.25 26.53 12.41 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.893 1.442 . . . . 25.0 114.893 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -77.96 -31.27 50.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.162 0.506 . . . . 25.0 109.841 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.24 179.5 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -94.6 90.4 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.48 124.53 17.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.005 0.907 . . . . 25.0 111.849 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -91.66 3.06 55.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.008 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 55.6 -136.22 1.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.273 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.24 24.01 49.39 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 109.761 -1.336 . . . . 25.0 109.761 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p -71.03 123.05 21.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.365 0.602 . . . . 25.0 110.006 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.19 78.98 75.17 Favored Pre-proline 0 N--CA 1.469 0.51 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.094 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.22 166.24 29.35 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 118.135 -0.776 . . . . 25.0 110.846 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -70.91 135.3 47.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -141.26 169.88 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm 41.89 74.13 0.12 Allowed 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.363 1.616 . . . . 25.0 115.363 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.0 28.26 14.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 167.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.47 36.27 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 114.633 1.345 . . . . 25.0 114.633 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -74.96 -10.52 59.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -112.11 -38.2 4.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.309 0.576 . . . . 25.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.66 -30.75 56.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.599 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -124.01 148.26 56.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.82 166.31 30.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 118.167 -0.755 . . . . 25.0 111.406 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -122.38 75.75 43.34 Favored Pre-proline 0 N--CA 1.469 0.498 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.55 165.54 31.53 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 118.286 -0.676 . . . . 25.0 110.921 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.24 -20.93 67.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 115' ' ' ILE . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.83 6.59 38.31 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -113.25 149.33 41.29 Favored Pre-proline 0 C--O 1.242 0.68 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -69.4 169.81 17.59 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 120.654 0.903 . . . . 25.0 112.317 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -46.27 -45.92 17.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.8 1.407 . . . . 25.0 114.8 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.52 -49.47 47.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.11 -33.53 76.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.783 -0.573 . . . . 25.0 110.062 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.77 -39.09 83.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 78' ' ' LEU . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.15 -0.928 . . . . 25.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.53 68.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.041 1.291 . . . . 25.0 111.386 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -126.59 152.26 74.28 Favored Pre-proline 0 C--O 1.246 0.875 0 N-CA-C 103.637 -2.727 . . . . 25.0 103.637 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.18 143.58 54.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 116.751 -1.7 . . . . 25.0 112.791 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -165.5 158.38 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -101.05 122.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.152 -2.166 . . . . 25.0 105.152 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 p -131.28 5.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.023 0.915 . . . . 25.0 111.804 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.56 -61.12 0.33 Allowed Glycine 0 C--O 1.229 -0.216 0 CA-C-O 119.136 -0.813 . . . . 25.0 112.428 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -69.08 157.63 60.98 Favored 'Trans proline' 0 C--O 1.239 0.564 0 C-N-CA 115.757 -2.362 . . . . 25.0 110.087 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.4 159.41 53.49 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 117.844 -0.971 . . . . 25.0 112.339 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.2 160.33 50.3 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 118.324 -0.651 . . . . 25.0 112.373 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.08 177.94 7.56 Favored 'Trans proline' 0 C--N 1.345 0.351 0 O-C-N 121.879 0.41 . . . . 25.0 111.387 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.15 155.24 28.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.117 -0.697 . . . . 25.0 109.117 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -58.36 150.7 21.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.942 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 36.35 0.42 Allowed Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.676 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.7 -176.27 40.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 106.428 -2.669 . . . . 25.0 106.428 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 51.06 62.31 11.66 Favored Pre-proline 0 N--CA 1.478 0.968 0 O-C-N 124.4 0.706 . . . . 25.0 112.204 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.36 146.0 55.29 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 115.594 -2.471 . . . . 25.0 112.0 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.8 -164.18 29.49 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.444 -1.463 . . . . 25.0 109.444 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.5 p -125.75 69.45 1.18 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.25 37.52 22.28 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.584 1.183 . . . . 25.0 111.468 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -72.36 141.75 48.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.48 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.9 p -131.64 27.38 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.341 0.591 . . . . 25.0 110.636 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -93.34 -132.02 0.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -71.03 160.6 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.37 135.67 49.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.106 0.479 . . . . 25.0 110.541 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -0.5 22.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.773 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.02 154.38 18.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.416 0.627 . . . . 25.0 111.592 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.8 165.7 15.83 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 110.312 -1.115 . . . . 25.0 110.312 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -158.65 151.2 21.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.23 153.72 90.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.66 -179.39 4.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 O-C-N 122.001 0.474 . . . . 25.0 111.605 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -62.36 164.01 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.697 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.72 93.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.73 142.1 53.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.45 -31.56 0.21 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 116.409 2.003 . . . . 25.0 116.409 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -61.39 -29.88 70.2 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.112 -0.992 . . . . 25.0 111.33 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -71.3 -5.1 29.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.86 -39.05 4.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 25.0 109.973 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.22 -34.88 79.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 110.072 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -123.98 156.47 65.76 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -65.68 152.18 82.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 115.724 -2.384 . . . . 25.0 109.893 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.21 111.4 3.69 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -174.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.55 148.73 20.77 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 114.892 -2.939 . . . . 25.0 111.732 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.42 -11.54 28.55 Favored 'Trans proline' 0 C--N 1.345 0.389 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.53 4.81 22.99 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 166.06 29.21 Favored Pre-proline 0 C--O 1.244 0.775 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.33 138.96 63.19 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 114.241 -3.373 . . . . 25.0 110.122 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -24.05 62.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 -167.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.86 -59.48 3.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.01 -35.13 79.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.048 0.928 . . . . 25.0 109.596 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -73.47 -13.12 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.081 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.608 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.206 -0.294 . . . . 25.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.1 151.88 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.915 -1.143 . . . . 25.0 107.915 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -159.73 148.63 13.98 Favored Pre-proline 0 C--O 1.243 0.757 0 N-CA-C 105.332 -2.099 . . . . 25.0 105.332 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.5 43.4 0.9 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.236 1.957 . . . . 25.0 117.121 -167.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' VAL . 9.7 tt -123.19 -11.96 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG23 HG23 ' A' ' 5' ' ' ILE . 35.8 t -143.02 -50.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-O 121.107 0.48 . . . . 25.0 110.47 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.58 118.23 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.945 0.402 . . . . 25.0 110.39 -175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 63.54 0.36 Allowed Glycine 0 C--O 1.226 -0.375 0 CA-C-O 119.1 -0.833 . . . . 25.0 113.389 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.45 147.35 70.97 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 116.374 -1.951 . . . . 25.0 112.289 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.52 157.04 45.1 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 117.533 -1.178 . . . . 25.0 112.72 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.21 169.78 21.68 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 118.349 -0.634 . . . . 25.0 110.501 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -69.57 -5.47 16.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 117.483 -1.212 . . . . 25.0 113.311 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.0 9.55 27.48 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.005 0.522 . . . . 25.0 110.238 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 m 72.11 157.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.495 1.518 . . . . 25.0 112.605 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.68 -170.42 39.01 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.019 -2.432 . . . . 25.0 107.019 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.58 179.07 46.13 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 118.091 0.945 . . . . 25.0 110.996 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.32 157.22 78.18 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -72.2 173.37 13.11 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.281 -1.346 . . . . 25.0 111.549 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.6 19.95 5.61 Favored Glycine 0 C--O 1.226 -0.402 0 N-CA-C 115.05 0.78 . . . . 25.0 115.05 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -127.44 137.15 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.27 -1.381 . . . . 25.0 107.27 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -75.6 -29.97 59.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.796 0.808 . . . . 25.0 109.807 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -100.89 36.22 2.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.256 -0.884 . . . . 25.0 112.829 -172.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 99.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.45 0.643 . . . . 25.0 112.438 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.07 -33.28 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.41 158.18 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.77 -1.105 . . . . 25.0 109.197 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 123.96 22.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.129 -0.357 . . . . 25.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 55.84 46.42 22.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.965 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.17 -165.55 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.703 -0.68 . . . . 25.0 109.714 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.01 24.27 13.27 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 -176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -82.79 122.09 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.433 -0.451 . . . . 25.0 110.412 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.7 90.8 23.15 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-O 121.126 0.488 . . . . 25.0 110.652 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.7 155.82 49.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.988 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -66.39 -19.93 65.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -151.4 151.12 31.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -157.25 -81.79 0.06 Allowed 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 106.158 -1.793 . . . . 25.0 106.158 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -99.11 7.01 46.26 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.121 0.962 . . . . 25.0 108.719 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -55.46 -40.32 71.45 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.096 -0.956 . . . . 25.0 113.033 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.43 -6.95 44.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.052 1.13 . . . . 25.0 114.052 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -107.22 -37.99 6.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.237 0.541 . . . . 25.0 109.845 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.01 -38.09 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 25.0 111.726 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -124.07 153.56 67.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 25.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.73 170.12 19.45 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 117.19 -1.406 . . . . 25.0 110.357 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.51 74.44 4.44 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 163.87 35.47 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 N-CA-C 113.235 0.437 . . . . 25.0 113.235 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.36 -18.44 49.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.21 27.72 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.38 150.13 93.64 Favored Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.33 156.2 61.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 116.516 -1.856 . . . . 25.0 109.875 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.84 -25.73 65.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -166.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -76.23 -43.22 43.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.528 0.68 . . . . 25.0 110.959 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -66.72 -31.49 72.18 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.345 -0.847 . . . . 25.0 109.946 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -59.33 -41.91 90.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.566 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.113 -0.47 . . . . 25.0 110.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.77 30.48 1.87 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 118.408 2.744 . . . . 25.0 118.408 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -145.92 117.35 4.97 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 157.5 52.65 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.788 -1.008 . . . . 25.0 110.943 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.9 pt -137.11 170.67 17.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.0 -30.92 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.246 0.546 . . . . 25.0 112.063 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.41 -22.95 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.778 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 -176.88 30.82 Favored Glycine 0 C--O 1.241 0.574 0 C-N-CA 121.013 -0.613 . . . . 25.0 114.251 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.99 167.56 26.36 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.915 2.41 . . . . 25.0 112.516 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.8 156.26 66.81 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 116.964 -1.558 . . . . 25.0 111.349 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.48 166.33 30.12 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 118.355 -0.63 . . . . 25.0 112.366 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -64.72 159.6 44.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 117.047 -1.502 . . . . 25.0 112.334 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt 66.6 9.3 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.528 1.131 . . . . 25.0 112.9 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 m -112.53 -1.07 15.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.88 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.55 -178.09 15.59 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 115.568 0.987 . . . . 25.0 115.568 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 154.49 29.39 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 114.692 -0.754 . . . . 25.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt 70.29 140.7 0.07 OUTLIER Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 125.742 1.617 . . . . 25.0 113.293 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.44 160.45 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 117.798 -1.002 . . . . 25.0 114.269 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.04 -38.93 2.61 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.671 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 t -137.11 140.4 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 104.085 -2.561 . . . . 25.0 104.085 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 47.95 -10.9 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 120.08 3.363 . . . . 25.0 120.08 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -143.01 167.52 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.846 0.748 . . . . 25.0 111.597 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -142.94 34.7 1.38 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.661 -0.7 . . . . 25.0 109.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -78.36 -177.43 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.107 -0.497 . . . . 25.0 112.05 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.76 40.25 3.39 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.967 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.97 75.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.797 0.332 . . . . 25.0 110.982 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 41.71 48.35 3.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.28 -30.56 70.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.846 -1.07 . . . . 25.0 113.557 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.48 -19.47 68.84 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -136.47 48.85 2.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.548 1.174 . . . . 25.0 111.833 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.97 146.72 95.29 Favored Pre-proline 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.738 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.53 140.88 37.12 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.728 -1.048 . . . . 25.0 114.561 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.23 69.01 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p 45.16 45.07 9.16 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.663 1.221 . . . . 25.0 110.355 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.0 141.52 45.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.237 -1.347 . . . . 25.0 109.951 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 69.28 -23.33 0.15 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.66 -25.44 68.13 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.602 -0.686 . . . . 25.0 110.619 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -87.32 -22.7 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.089 0.471 . . . . 25.0 110.674 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.78 -41.88 10.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.538 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -124.65 148.69 59.84 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 25.0 111.208 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.06 138.79 44.83 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 115.338 -2.641 . . . . 25.0 109.596 170.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -79.71 131.72 63.41 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 113.491 0.922 . . . . 25.0 113.491 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -75.46 167.11 27.3 Favored 'Trans proline' 0 C--O 1.244 0.782 0 N-CA-C 109.269 -1.089 . . . . 25.0 109.269 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -65.39 -13.76 41.44 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 116.245 -2.037 . . . . 25.0 113.443 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.11 91.52 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.69 77.44 69.19 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.64 32.25 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.575 0 N-CA-C 115.606 1.349 . . . . 25.0 115.606 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -118.32 -111.28 0.34 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.08 -58.93 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -172.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.68 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.825 -0.547 . . . . 25.0 112.401 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -58.05 -41.68 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 56' ' ' ALA . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.349 0.129 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.28 150.76 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 154.71 84.97 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -74.45 37.14 0.44 Allowed 'Trans proline' 0 C--N 1.353 0.811 0 N-CA-C 117.08 1.916 . . . . 25.0 117.08 -172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -17.37 6.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 172.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 8' ' ' GLY . 11.2 p -70.73 139.87 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 115.672 -0.694 . . . . 25.0 110.018 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.16 -18.25 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.255 0.55 . . . . 25.0 111.564 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -105.76 99.49 1.55 Allowed Glycine 0 CA--C 1.519 0.283 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.65 161.24 46.68 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 CA-C-N 119.783 1.792 . . . . 25.0 113.1 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.43 158.47 56.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.993 -0.871 . . . . 25.0 112.022 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.7 158.72 56.04 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 117.772 -1.019 . . . . 25.0 112.619 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.14 165.95 26.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 118.526 -0.516 . . . . 25.0 111.527 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.82 -24.01 0.2 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.167 1.387 . . . . 25.0 112.349 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -76.07 147.93 38.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.84 179.55 25.26 Favored Glycine 0 CA--C 1.516 0.151 0 C-N-CA 121.53 -0.367 . . . . 25.0 112.769 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.5 143.89 16.21 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 109.11 -1.596 . . . . 25.0 109.11 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.63 55.52 3.74 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -72.8 154.84 53.98 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 115.458 -2.561 . . . . 25.0 111.212 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.82 -68.79 0.01 OUTLIER Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.828 -0.701 . . . . 25.0 112.831 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 p -120.7 160.15 23.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 52.31 31.35 9.27 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 122.332 1.063 . . . . 25.0 112.83 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.98 -30.7 70.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.582 -0.735 . . . . 25.0 111.471 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m 49.56 48.62 21.17 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.958 0.786 . . . . 25.0 111.671 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -138.7 176.07 9.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.526 0.679 . . . . 25.0 112.573 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.03 163.13 33.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 103.954 -2.61 . . . . 25.0 103.954 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.51 43.73 29.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.589 0.709 . . . . 25.0 111.463 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -69.34 142.1 54.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.378 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t0 72.37 160.97 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.205 1.402 . . . . 25.0 113.362 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.3 59.83 4.87 Favored Glycine 0 C--O 1.229 -0.211 0 CA-C-N 116.044 -0.526 . . . . 25.0 113.556 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -135.15 147.41 49.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.227 0.537 . . . . 25.0 111.076 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.39 91.02 46.1 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.79 84.08 1.98 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 114.026 0.741 . . . . 25.0 114.026 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -132.59 -77.1 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 25.0 110.23 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.5 m -133.95 113.82 12.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -162.33 -68.19 0.05 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.769 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -125.97 -16.74 5.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -52.14 -44.54 64.61 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -78.52 -8.77 58.92 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -96.46 -29.33 13.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -82.19 -46.02 14.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.878 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -127.76 158.53 70.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -69.33 166.29 27.57 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.858 -1.628 . . . . 25.0 110.987 168.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.06 84.14 5.5 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.11 167.06 22.88 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 111.059 -0.4 . . . . 25.0 111.059 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -61.64 -13.72 31.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.59 66.38 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -132.0 71.63 79.99 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.209 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -78.54 34.71 0.51 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 N-CA-C 115.771 1.412 . . . . 25.0 115.771 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.0 -128.44 0.28 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 119.296 -0.383 . . . . 25.0 110.532 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -40.01 93.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.808 0.731 . . . . 25.0 111.435 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.72 -29.93 67.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.93 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -58.48 -45.02 89.52 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.499 1.975 0 CA-C-O 119.492 -0.29 . . . . 25.0 111.645 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.15 79.98 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 -174.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 68.64 146.35 0.11 Allowed Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 125.368 1.467 . . . . 25.0 112.273 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.62 54.4 5.17 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 120.92 1.08 . . . . 25.0 113.162 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -136.25 138.63 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.377 0.608 . . . . 25.0 110.744 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -127.65 121.81 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -149.0 -47.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 111.865 0.32 . . . . 25.0 111.865 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.36 -85.62 0.4 Allowed Glycine 0 CA--C 1.519 0.321 0 CA-C-O 118.987 -0.896 . . . . 25.0 110.955 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.08 160.33 49.53 Favored 'Trans proline' 0 C--N 1.348 0.54 0 CA-C-N 119.763 1.782 . . . . 25.0 111.517 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.12 152.64 72.59 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.901 -1.6 . . . . 25.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.04 145.55 67.81 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 117.536 -1.176 . . . . 25.0 111.79 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.16 -14.81 28.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 N-CA-C 114.951 1.097 . . . . 25.0 114.951 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.7 pt? -109.59 14.29 23.5 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.504 0.322 . . . . 25.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t 59.31 -155.02 0.36 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.74 142.77 4.73 Favored Glycine 0 C--O 1.235 0.157 0 C-N-CA 120.549 -0.834 . . . . 25.0 113.664 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.78 -159.9 35.36 Favored Glycine 0 CA--C 1.516 0.146 0 N-CA-C 110.873 -0.891 . . . . 25.0 110.873 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.59 141.71 97.92 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.89 136.82 19.09 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 117.464 -1.224 . . . . 25.0 111.705 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.59 31.24 41.51 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.788 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -63.1 -15.43 56.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.217 0.821 . . . . 25.0 113.217 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -70.94 -14.62 62.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.001 -0.437 . . . . 25.0 110.71 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -97.04 13.38 29.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 m 56.73 -99.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.926 0.891 . . . . 25.0 113.339 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -84.63 -23.85 29.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.11 72.28 9.16 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.118 0.961 . . . . 25.0 111.372 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.34 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.239 -0.892 . . . . 25.0 110.265 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -91.33 18.97 6.42 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.06 144.06 26.41 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.86 -163.11 50.83 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.954 -0.641 . . . . 25.0 112.584 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m 63.53 109.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.59 85.86 7.83 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.633 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.18 152.23 44.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 116.696 -1.736 . . . . 25.0 112.313 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -68.74 -21.61 64.37 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 122.163 -0.336 . . . . 25.0 111.097 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.11 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 172.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp 44.62 -100.51 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.76 -23.86 66.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 25.0 112.379 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -61.4 -24.23 66.36 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.34 -28.76 70.22 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.15 -19.3 23.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.096 0.474 . . . . 25.0 110.734 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -92.78 -46.02 7.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.577 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -123.89 150.39 62.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 122.161 0.184 . . . . 25.0 110.761 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.09 141.75 58.84 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 114.612 -3.125 . . . . 25.0 109.368 168.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -73.6 123.32 89.29 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.14 166.92 28.41 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 117.848 0.267 . . . . 25.0 111.723 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -64.8 -16.19 54.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 119' ' ' ASP . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.04 -13.42 59.88 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -131.46 164.62 41.33 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.58 144.18 97.49 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 115.893 -2.271 . . . . 25.0 111.735 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.48 -27.5 67.07 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -169.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.1 -56.15 16.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.09 -29.68 67.53 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.474 1.131 . . . . 25.0 110.067 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -77.78 -12.89 60.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.1 -0.954 . . . . 25.0 113.377 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.451 HD11 HD13 ' A' ' 141' ' ' ILE . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 74' ' ' LEU . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.519 HG23 ' HB1' ' A' ' 56' ' ' ALA . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 119.431 -0.318 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -23.64 18.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.276 0.56 . . . . 25.0 111.218 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.28 153.11 96.23 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.84 97.25 0.8 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 118.186 -0.743 . . . . 25.0 113.321 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -157.43 144.07 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.44 134.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.8 t -134.9 -48.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.0 -64.09 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.08 -0.581 . . . . 25.0 114.245 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.83 163.24 35.99 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.743 -1.705 . . . . 25.0 111.033 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -69.39 157.11 62.3 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 115.976 -2.216 . . . . 25.0 110.644 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.48 157.29 61.47 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.835 -1.643 . . . . 25.0 111.536 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.47 -2.05 11.57 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 113.109 0.388 . . . . 25.0 113.109 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp 69.65 -31.01 0.2 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 p -68.75 -21.43 64.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 -159.71 22.45 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 109.654 -1.378 . . . . 25.0 109.654 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.78 155.38 26.37 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 107.78 -2.128 . . . . 25.0 107.78 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -156.91 156.88 30.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.21 160.63 48.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 116.561 -1.826 . . . . 25.0 112.114 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.65 20.97 57.32 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.975 -0.631 . . . . 25.0 112.548 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -131.89 165.26 24.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 54.59 -144.48 0.67 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.663 0.785 . . . . 25.0 112.365 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.06 158.48 18.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 m -56.76 132.41 52.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 25.0 111.337 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -116.38 -171.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.815 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -74.07 6.48 3.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.637 1.347 . . . . 25.0 114.637 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.78 62.75 2.53 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.761 1.023 . . . . 25.0 113.761 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.3 -48.19 82.49 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.86 -173.83 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.53 159.65 33.03 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 48.1 p -108.22 61.86 0.61 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 122.003 -0.704 . . . . 25.0 111.939 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -119.74 83.81 29.69 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.23 159.19 50.29 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.88 -0.947 . . . . 25.0 112.414 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -65.31 -27.13 68.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 p -137.81 146.48 43.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 25.0 112.226 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.33 -115.9 0.08 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.55 -2.759 . . . . 25.0 103.55 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -3.8 9.88 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.019 0.927 . . . . 25.0 111.287 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -53.09 -25.96 14.68 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 124.106 0.963 . . . . 25.0 112.847 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -63.75 -22.79 67.08 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -113.05 -35.6 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.363 . . . . 25.0 111.396 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.16 -33.92 75.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.804 0.335 . . . . 25.0 111.22 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -123.86 154.07 67.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.99 176.12 8.15 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 116.892 -1.605 . . . . 25.0 111.098 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.63 71.42 1.75 Allowed Pre-proline 0 CA--C 1.542 0.647 0 CA-C-O 121.182 0.515 . . . . 25.0 110.236 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.4 159.53 43.2 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 116.129 -2.114 . . . . 25.0 111.099 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -66.91 -16.54 50.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 117.997 -0.868 . . . . 25.0 114.156 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.27 8.45 7.4 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.05 164.45 43.89 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -63.65 135.44 48.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 114.623 -3.118 . . . . 25.0 109.319 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -27.25 65.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 25.0 112.224 -169.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.52 -45.48 75.64 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -71.34 -41.01 70.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.466 1.127 . . . . 25.0 109.617 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -70.4 -12.61 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 56' ' ' ALA . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 118.596 -0.716 . . . . 25.0 109.407 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.98 61.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.788 1.176 . . . . 25.0 108.632 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -127.83 160.44 61.14 Favored Pre-proline 0 C--O 1.24 0.571 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.7 53.76 4.77 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 120.717 0.945 . . . . 25.0 114.383 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tp -131.86 139.36 50.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.1 -53.58 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.567 -0.288 . . . . 25.0 111.615 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.96 -44.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.97 -157.66 19.21 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 110.31 -1.116 . . . . 25.0 110.31 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.42 158.06 58.82 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 119.334 1.567 . . . . 25.0 112.677 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.84 163.98 37.12 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 N-CA-C 113.215 0.429 . . . . 25.0 113.215 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -68.95 169.55 17.61 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 N-CA-C 110.641 -0.561 . . . . 25.0 110.641 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.33 8.95 1.62 Allowed 'Trans proline' 0 CA--C 1.539 0.742 0 N-CA-C 114.538 0.938 . . . . 25.0 114.538 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.92 157.16 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -65.28 -21.69 66.76 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 -150.88 51.37 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.02 -0.609 . . . . 25.0 111.795 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.27 -160.16 21.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 107.726 -2.15 . . . . 25.0 107.726 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.85 144.97 80.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 172.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.93 11.39 0.89 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 121.586 1.524 . . . . 25.0 115.93 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.56 1.49 28.38 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 117.26 1.664 . . . . 25.0 117.26 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -125.45 -0.27 7.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.874 1.337 . . . . 25.0 109.865 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.67 -14.48 14.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.341 0.591 . . . . 25.0 109.542 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -137.26 175.74 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 t -98.61 20.25 13.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.26 173.75 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 47.95 2.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.735 -1.58 . . . . 25.0 106.735 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.48 62.64 1.4 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -83.23 146.32 28.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.77 -36.08 73.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.34 46.77 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.7 m -75.45 136.32 40.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.615 0.708 . . . . 25.0 110.461 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.0 mt 52.6 67.47 3.89 Favored Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.45 163.33 38.43 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 117.451 -1.233 . . . . 25.0 111.95 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -72.19 36.97 0.07 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.936 1.828 . . . . 25.0 115.936 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -152.07 139.86 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.601 0.715 . . . . 25.0 110.816 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -150.29 84.8 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.329 -2.471 . . . . 25.0 104.329 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 60.28 16.06 5.87 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.758 1.266 . . . . 25.0 110.311 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -66.81 -27.95 67.98 Favored 'General case' 0 C--O 1.206 -1.209 0 CA-C-N 114.572 -1.194 . . . . 25.0 112.679 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.51 -10.1 59.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.95 -40.61 4.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 25.0 109.821 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.32 -34.51 63.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.282 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -123.98 154.65 67.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.03 163.24 39.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 114.905 -2.93 . . . . 25.0 108.573 166.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.49 80.11 2.57 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 121.11 0.481 . . . . 25.0 111.464 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.17 166.97 28.1 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 CA-C-N 117.659 0.199 . . . . 25.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.62 -15.56 50.64 Favored 'Trans proline' 0 C--N 1.35 0.625 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.28 95.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -132.08 80.64 63.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 107.751 -1.203 . . . . 25.0 107.751 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.2 22.6 0.32 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 N-CA-C 116.961 1.869 . . . . 25.0 116.961 -171.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -107.86 -130.48 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.751 -0.593 . . . . 25.0 110.955 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.28 -29.65 69.32 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 118.452 0.569 . . . . 25.0 111.978 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.64 -37.87 88.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.622 -0.674 . . . . 25.0 110.427 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -66.25 -38.6 88.24 Favored 'General case' 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 74' ' ' LEU . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.599 HG23 ' HB1' ' A' ' 56' ' ' ALA . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.87 139.23 30.94 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 67.52 151.85 0.12 Allowed Pre-proline 0 N--CA 1.484 1.272 0 O-C-N 124.987 1.429 . . . . 25.0 112.523 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.38 84.82 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-O 121.913 0.714 . . . . 25.0 112.082 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 pt -77.49 148.79 6.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.206 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.09 -8.43 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.448 0.642 . . . . 25.0 110.854 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -145.18 -24.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.4 -78.23 0.33 Allowed Glycine 0 CA--C 1.517 0.201 0 N-CA-C 111.011 -0.836 . . . . 25.0 111.011 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.77 158.94 55.23 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.1 1.45 . . . . 25.0 111.719 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.98 156.27 56.43 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 117.249 -1.367 . . . . 25.0 112.05 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.94 165.33 32.36 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 117.918 -0.922 . . . . 25.0 110.696 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.68 0.59 9.01 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.863 -0.958 . . . . 25.0 113.373 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -94.31 135.94 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -78.54 -14.4 59.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.34 129.86 9.36 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.806 -0.711 . . . . 25.0 112.146 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.85 -170.15 41.69 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.8 tp 50.28 80.11 0.31 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.75 16.7 1.25 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 N-CA-C 114.275 0.837 . . . . 25.0 114.275 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.32 -162.38 9.11 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 108.123 -1.991 . . . . 25.0 108.123 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.4 p -109.49 134.35 51.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.958 0.885 . . . . 25.0 110.788 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.45 137.97 58.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.515 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 t30 57.06 24.77 9.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.14 -0.936 . . . . 25.0 112.859 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 -38.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.369 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.78 174.78 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.38 -6.19 50.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.62 63.19 2.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.675 0.79 . . . . 25.0 112.65 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 90.4 -38.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 127.175 2.19 . . . . 25.0 113.245 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 18.6 t70 54.83 -144.67 0.67 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 -175.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 28' ' ' ASP . . . -168.8 16.97 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 CA-C-O 119.529 -0.595 . . . . 25.0 113.934 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.2 p -125.1 162.15 25.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.149 0.974 . . . . 25.0 111.217 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.28 73.61 79.88 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 122.447 0.299 . . . . 25.0 111.029 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -79.33 32.66 0.48 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 N-CA-C 115.275 1.221 . . . . 25.0 115.275 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -56.39 -38.74 71.9 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 p -89.54 -17.25 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.554 1.316 . . . . 25.0 114.554 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -43.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -90.54 -14.5 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.253 1.025 . . . . 25.0 108.709 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -74.84 -4.43 37.79 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.874 -1.057 . . . . 25.0 113.501 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.39 -16.09 58.0 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.635 -0.426 . . . . 25.0 110.419 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -123.96 -42.14 2.18 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.27 -28.81 62.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.869 0.322 . . . . 25.0 111.869 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -124.06 153.75 67.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.14 176.47 9.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 118.08 -0.813 . . . . 25.0 110.113 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -112.24 78.7 2.58 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 121.048 0.451 . . . . 25.0 111.27 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.34 161.7 39.82 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 116.633 -1.778 . . . . 25.0 110.498 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -69.41 -11.71 31.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.09 -1.474 . . . . 25.0 114.303 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.07 -10.78 59.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.44 165.85 28.6 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 119.453 -0.308 . . . . 25.0 110.204 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.74 145.64 94.97 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 115.06 -2.827 . . . . 25.0 111.201 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -69.83 -21.38 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.244 1.201 . . . . 25.0 114.244 -168.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -50.77 57.15 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -64.73 -28.53 69.65 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.23 1.014 . . . . 25.0 109.421 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -87.37 -12.88 45.01 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.405 -0.816 . . . . 25.0 113.152 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 82' ' ' ALA . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.529 -0.272 . . . . 25.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.75 -45.88 0.54 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.326 1.973 . . . . 25.0 116.326 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.84 73.75 0.91 Allowed Pre-proline 0 N--CA 1.48 1.042 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.33 149.54 88.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 115.174 -2.751 . . . . 25.0 109.218 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 pt -132.03 159.28 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.778 0.323 . . . . 25.0 110.969 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.82 -9.55 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -78.6 137.07 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.812 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.06 -58.93 4.15 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.433 -0.648 . . . . 25.0 113.589 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.88 168.03 19.83 Favored 'Trans proline' 0 C--N 1.351 0.692 0 CA-C-N 119.415 1.608 . . . . 25.0 110.158 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -62.1 149.7 89.43 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 116.017 -2.189 . . . . 25.0 113.143 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.31 154.83 71.22 Favored 'Trans proline' 0 C--N 1.347 0.488 0 N-CA-C 113.406 0.502 . . . . 25.0 113.406 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.26 171.88 17.42 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 113.982 0.724 . . . . 25.0 113.982 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.77 139.4 56.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.096 -0.956 . . . . 25.0 108.665 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 m 66.66 15.28 10.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.74 162.41 53.75 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.849 -1.3 . . . . 25.0 109.849 172.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.13 -103.59 0.3 Allowed Glycine 0 C--O 1.226 -0.4 0 CA-C-N 117.513 0.656 . . . . 25.0 112.841 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -75.26 158.26 84.05 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.64 -0.51 10.7 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.572 1.335 . . . . 25.0 115.572 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 179.47 51.78 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.132 -0.556 . . . . 25.0 114.032 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -88.51 0.46 56.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 25.0 111.709 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.442 0.904 . . . . 25.0 113.442 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -126.85 -21.83 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.4 t -159.16 141.93 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -71.16 -15.82 62.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.295 0.569 . . . . 25.0 111.207 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.08 -31.79 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.575 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 69.82 -43.47 0.53 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.821 1.648 . . . . 25.0 113.02 -173.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -163.12 163.25 25.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.043 -1.836 . . . . 25.0 106.043 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.72 116.58 5.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.587 0.708 . . . . 25.0 112.151 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.99 -62.13 2.53 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m 55.14 19.97 3.11 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 mt 68.11 154.77 0.14 Allowed Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 125.498 1.519 . . . . 25.0 112.781 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.48 150.46 84.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 115.579 -2.481 . . . . 25.0 111.971 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -56.81 14.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.9 p -125.7 155.14 41.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 121.93 -0.481 . . . . 25.0 110.369 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 -72.65 0.23 Allowed 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.37 -30.59 71.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.921 0.867 . . . . 25.0 112.938 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -58.64 -22.01 55.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -63.84 -24.16 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -98.75 -27.42 13.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.136 0.493 . . . . 25.0 111.647 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -88.21 -33.4 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -173.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -123.96 151.95 65.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -68.07 161.97 42.02 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 116.955 -1.563 . . . . 25.0 109.15 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -110.86 84.88 4.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.8 163.19 37.75 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 117.797 -1.002 . . . . 25.0 112.104 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -65.97 -14.86 46.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.13 63.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -76.35 153.05 83.98 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.254 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.31 169.65 14.99 Favored 'Trans proline' 0 C--N 1.352 0.744 0 CA-C-N 118.043 0.337 . . . . 25.0 112.43 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -42.01 -51.54 4.44 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -172.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.53 -41.24 60.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.33 -176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.15 -29.44 69.73 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.625 -0.672 . . . . 25.0 111.04 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -61.49 -34.35 75.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.559 HG23 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 119.229 -0.415 . . . . 25.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.59 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -66.99 122.89 84.57 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -72.15 138.67 31.1 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.634 -1.777 . . . . 25.0 113.16 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 pt -144.61 161.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.51 -50.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 131.01 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 171.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.75 -61.41 5.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.344 -0.698 . . . . 25.0 112.965 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -68.88 160.55 49.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 116.55 -1.833 . . . . 25.0 110.635 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.12 152.29 76.47 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 116.176 -2.083 . . . . 25.0 112.867 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.88 146.94 54.56 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.018 -1.521 . . . . 25.0 111.732 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.91 -12.59 26.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.625 1.356 . . . . 25.0 115.625 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.44 4.02 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -150.34 -31.73 0.19 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -0.67 85.76 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.798 -0.921 . . . . 25.0 110.798 -176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.29 -151.33 20.63 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 108.415 -1.874 . . . . 25.0 108.415 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.8 mt 63.11 156.18 0.12 Allowed Pre-proline 0 N--CA 1.481 1.091 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.49 -10.98 20.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 N-CA-C 113.268 0.449 . . . . 25.0 113.268 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.46 -161.04 26.77 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 104.8 -3.32 . . . . 25.0 104.8 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.7 t -90.26 -4.26 57.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.486 1.143 . . . . 25.0 108.605 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.9 170.49 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.515 -0.766 . . . . 25.0 111.219 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.8 t30 40.51 74.95 0.09 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 117.77 2.507 . . . . 25.0 117.77 175.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 -0.48 1.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.802 1.778 . . . . 25.0 115.802 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -27.73 45.35 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.153 0.502 . . . . 25.0 110.028 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -66.36 144.73 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 25.0 110.266 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.12 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -65.42 -39.19 91.82 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.189 -0.46 . . . . 25.0 112.193 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -151.36 93.08 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.009 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.39 -108.97 1.01 Allowed Glycine 0 C--O 1.225 -0.451 0 CA-C-N 116.23 -0.441 . . . . 25.0 114.03 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t 49.56 -167.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.49 138.46 74.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.608 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.75 171.65 16.87 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 117.159 -1.427 . . . . 25.0 111.698 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -45.81 122.87 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p 48.84 17.26 0.14 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -49.94 -55.75 13.28 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.822 1.786 . . . . 25.0 115.822 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.46 -13.53 34.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.432 0.634 . . . . 25.0 110.332 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -64.9 -28.04 69.27 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.359 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.62 -22.97 57.94 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.93 -31.42 8.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 25.0 111.18 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.48 -39.84 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -123.76 156.95 64.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 122.427 0.291 . . . . 25.0 110.614 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -68.57 156.45 65.5 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 115.618 -2.455 . . . . 25.0 110.32 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' H ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.84 84.58 6.85 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-O 121.466 0.65 . . . . 25.0 112.119 -178.02 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -71.23 166.9 27.78 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.094 0.529 . . . . 25.0 112.876 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -65.8 -16.2 52.12 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 118' ' ' LEU . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.34 -27.85 64.69 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -141.76 73.73 23.32 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.99 29.48 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.913 0 N-CA-C 117.41 2.042 . . . . 25.0 117.41 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.31 -122.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.606 -0.684 . . . . 25.0 111.954 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.89 -39.78 94.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.405 0.621 . . . . 25.0 111.858 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.31 -32.26 73.63 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.031 -0.418 . . . . 25.0 111.007 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -63.43 -37.28 86.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 122.057 -0.402 . . . . 25.0 110.046 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.695 -0.193 . . . . 25.0 110.594 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 153.29 37.23 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.916 0.709 . . . . 25.0 112.916 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 47.12 64.17 8.93 Favored Pre-proline 0 N--CA 1.481 1.075 0 N-CA-C 114.56 1.318 . . . . 25.0 114.56 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -77.31 43.15 1.26 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 N-CA-C 114.702 1.001 . . . . 25.0 114.702 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.38 -45.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.348 -0.845 . . . . 25.0 109.061 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.41 -27.17 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.43 -16.35 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.808 0.813 . . . . 25.0 110.423 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.2 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.83 152.77 77.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 CA-C-N 118.961 1.381 . . . . 25.0 113.235 -173.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.09 162.43 34.34 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 117.565 -1.157 . . . . 25.0 112.058 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -68.25 164.13 33.55 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 115.517 -2.522 . . . . 25.0 108.49 169.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.63 -6.97 18.0 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.346 -1.303 . . . . 25.0 113.864 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.18 -3.09 54.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.044 0.538 . . . . 25.0 110.968 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 m -133.88 177.24 7.88 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 122.664 0.386 . . . . 25.0 110.106 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.92 -173.61 13.66 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.05 29.88 1.85 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-N 117.724 0.762 . . . . 25.0 114.6 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.66 80.35 55.23 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.328 0.651 . . . . 25.0 111.361 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.67 167.02 25.51 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 N-CA-C 109.798 -0.886 . . . . 25.0 109.798 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.72 29.75 0.44 Allowed Glycine 0 C--O 1.227 -0.304 0 C-N-CA 119.978 -1.106 . . . . 25.0 115.112 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -162.06 7.15 0.06 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.977 0.417 . . . . 25.0 111.429 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 56.2 mm-40 -100.85 161.02 13.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 25.0 110.207 -173.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.75 121.27 11.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m 48.62 37.15 8.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.361 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 44.8 p30 -80.74 28.23 0.35 Allowed 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -176.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.64 -32.98 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.885 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.42 102.07 7.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -126.92 162.85 24.97 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.11 149.41 33.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.53 166.76 38.34 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 119.956 -1.116 . . . . 25.0 115.537 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -75.69 140.0 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 123.242 0.617 . . . . 25.0 111.257 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.23 152.2 70.64 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -71.56 100.89 1.08 Allowed 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-O 121.462 0.526 . . . . 25.0 112.739 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -58.17 -42.57 86.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -153.0 166.25 33.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.15 79.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 66.67 -30.73 0.15 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.965 2.209 . . . . 25.0 116.965 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -40.97 -38.13 0.92 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -59.28 -26.32 64.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.69 -21.12 55.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.45 . . . . 25.0 111.028 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.62 -44.6 4.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.523 . . . . 25.0 112.293 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -123.74 135.27 26.01 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 122.811 0.444 . . . . 25.0 111.046 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.64 155.32 54.52 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 116.911 -1.593 . . . . 25.0 112.297 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 43' ' ' LEU . 2.3 pt? -84.98 144.44 41.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.231 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.65 157.14 40.15 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 116.247 -2.035 . . . . 25.0 110.662 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.38 -15.53 34.78 Favored 'Trans proline' 0 C--N 1.346 0.41 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.78 74.87 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -136.81 85.21 24.3 Favored Pre-proline 0 C--O 1.215 -0.712 0 CA-C-N 115.391 -0.822 . . . . 25.0 108.846 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -83.79 34.66 0.53 Allowed 'Trans proline' 0 CA--C 1.552 1.411 0 N-CA-C 117.25 1.981 . . . . 25.0 117.25 -172.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -108.39 -128.67 0.28 Allowed 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.989 -1.069 . . . . 25.0 112.615 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -76.05 -32.2 59.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.24 0.927 . . . . 25.0 110.834 -176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -25.17 65.86 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.78 -0.575 . . . . 25.0 109.605 176.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -34.55 77.85 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.648 -0.658 . . . . 25.0 109.947 171.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.553 HG23 ' HB1' ' A' ' 56' ' ' ALA . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.43 -0.319 . . . . 25.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.88 61.31 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -149.08 146.34 21.2 Favored Pre-proline 0 N--CA 1.47 0.542 0 N-CA-C 103.294 -2.854 . . . . 25.0 103.294 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.02 99.02 0.95 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-O 121.843 0.685 . . . . 25.0 113.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.41 137.41 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.87 -43.23 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -148.96 152.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.39 171.99 13.98 Favored Glycine 0 N--CA 1.455 -0.039 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.79 151.1 57.01 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-N 119.01 1.405 . . . . 25.0 110.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.27 145.2 65.19 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 115.439 -2.574 . . . . 25.0 111.61 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.47 156.32 54.35 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 116.293 -2.005 . . . . 25.0 111.324 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.33 169.68 19.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 117.177 -1.415 . . . . 25.0 110.479 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.004 0.43 . . . . 25.0 111.535 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 p -89.44 6.7 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.414 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.57 115.42 4.08 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.082 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.92 -171.94 44.5 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 106.287 -2.725 . . . . 25.0 106.287 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt 49.9 63.81 9.52 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.07 153.93 62.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.35 -1.967 . . . . 25.0 112.223 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 10.71 72.58 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 121.26 -0.495 . . . . 25.0 111.973 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -138.66 168.26 20.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.46 -1.681 . . . . 25.0 106.46 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.12 -16.23 64.2 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 65.09 24.07 12.46 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.3 1.04 . . . . 25.0 111.618 -177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 t 58.74 -142.64 0.65 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 25.0 112.138 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.52 -20.0 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.109 0.48 . . . . 25.0 111.599 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -79.45 91.66 5.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.9 126.25 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -64.83 -35.9 82.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.26 -63.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.57 0.544 . . . . 25.0 110.003 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 171.58 43.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 114.416 0.526 . . . . 25.0 114.416 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 p -141.8 168.02 20.75 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.52 148.58 70.56 Favored Pre-proline 0 N--CA 1.467 0.385 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.57 153.76 39.38 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 118.418 -0.588 . . . . 25.0 112.322 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -114.9 -28.4 7.06 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.348 1.61 . . . . 25.0 115.348 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 p -129.52 -1.7 4.92 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 -172.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -60.25 110.13 1.16 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.516 0.191 . . . . 25.0 111.516 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 59.97 4.85 0.66 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.647 1.579 . . . . 25.0 113.901 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -64.63 -28.8 69.87 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.69 -12.95 62.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.92 -37.22 4.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.402 . . . . 25.0 110.844 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.96 -35.94 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.57 0.582 . . . . 25.0 112.57 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -123.9 153.52 67.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -71.02 171.6 15.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 116.553 -1.832 . . . . 25.0 108.432 163.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.8 81.71 2.67 Favored Pre-proline 0 N--CA 1.472 0.636 0 O-C-N 121.829 -0.544 . . . . 25.0 111.789 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.41 164.88 33.03 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 118.07 -0.82 . . . . 25.0 111.269 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.32 -20.02 66.19 Favored 'Trans proline' 0 C--N 1.349 0.587 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.28 -32.76 14.2 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG3' ' HD2' ' A' ' 97' ' ' PRO . 12.7 tptt -61.26 153.02 70.22 Favored Pre-proline 0 C--O 1.244 0.78 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 96' ' ' LYS . 42.0 Cg_endo -60.86 153.15 65.15 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 115.545 -2.503 . . . . 25.0 111.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.07 -19.82 66.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 116.118 1.896 . . . . 25.0 116.118 -163.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -76.07 -44.02 40.9 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.58 170.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.27 -33.12 75.1 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.741 -0.6 . . . . 25.0 110.001 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -55.32 -38.37 68.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.478 HG23 ' HB1' ' A' ' 56' ' ' ALA . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 119.778 -0.153 . . . . 25.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.07 60.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.505 0.503 . . . . 25.0 109.786 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -140.72 153.75 68.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -67.06 130.24 22.43 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 117.417 -1.255 . . . . 25.0 112.198 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -161.34 143.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.38 117.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 105.521 -2.029 . . . . 25.0 105.521 174.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.15 133.85 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.63 -122.58 8.52 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.02 165.41 32.86 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 119.628 1.714 . . . . 25.0 112.371 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.39 162.32 41.08 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 117.272 -1.352 . . . . 25.0 110.945 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.08 154.5 74.29 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 117.098 -1.468 . . . . 25.0 112.613 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.37 161.85 41.65 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.961 -0.893 . . . . 25.0 112.612 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.17 -35.29 76.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.255 0.55 . . . . 25.0 109.863 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -86.62 43.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.196 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -161.96 34.58 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 116.143 -0.481 . . . . 25.0 112.013 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.78 156.27 28.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 106.114 -2.794 . . . . 25.0 106.114 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 mt 69.52 158.07 0.15 Allowed Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.89 1.276 . . . . 25.0 109.187 -174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.67 156.84 60.17 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 113.554 -3.831 . . . . 25.0 113.564 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.73 -25.45 0.11 Allowed Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.565 -0.743 . . . . 25.0 113.881 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -100.1 -19.48 16.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.704 0.764 . . . . 25.0 110.136 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -102.05 176.86 5.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -120.33 175.31 6.02 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 122.194 -0.316 . . . . 25.0 110.512 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m 78.0 -36.33 0.21 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.562 1.545 . . . . 25.0 114.126 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -119.44 8.04 11.29 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.441 0.639 . . . . 25.0 110.606 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -48.01 -32.42 6.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 -173.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.84 52.01 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -124.71 74.94 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.6 0.714 . . . . 25.0 112.689 -170.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -68.68 89.53 0.38 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.764 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 -178.35 38.43 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 116.061 1.185 . . . . 25.0 116.061 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.2 p -137.36 159.48 41.81 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -127.41 81.22 70.48 Favored Pre-proline 0 N--CA 1.469 0.477 0 C-N-CA 122.577 0.351 . . . . 25.0 110.142 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.3 146.48 35.82 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 117.347 -1.302 . . . . 25.0 114.423 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -136.79 27.62 2.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.31 1.052 . . . . 25.0 108.379 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -133.63 -178.43 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.5 tptt 63.58 98.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.489 1.115 . . . . 25.0 111.474 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 61.31 3.98 0.85 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -58.32 -29.69 66.11 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 122.02 -0.425 . . . . 25.0 110.045 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -71.27 -14.79 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -112.95 -39.16 4.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.736 0.303 . . . . 25.0 111.111 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.13 -35.06 75.98 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.067 -0.346 . . . . 25.0 110.067 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -123.75 147.83 54.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.569 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.1 177.03 7.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 O-C-N 121.762 0.348 . . . . 25.0 111.29 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.49 57.45 0.53 Allowed Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -69.94 165.15 32.13 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 114.921 -2.92 . . . . 25.0 109.575 173.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -65.26 -17.5 58.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.571 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' A' ' 65' ' ' PHE . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 73' ' ' SER . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.4 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.13 95.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.38 83.46 43.66 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.82 28.9 0.28 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.146 1.897 . . . . 25.0 116.289 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -116.28 -114.17 0.34 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.564 -0.71 . . . . 25.0 111.497 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.02 -42.74 89.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.539 0.608 . . . . 25.0 111.872 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -61.08 -37.37 82.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.686 -0.233 . . . . 25.0 110.51 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -63.95 -36.14 82.99 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 122.031 -0.418 . . . . 25.0 110.58 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.582 HG23 ' HB1' ' A' ' 56' ' ' ALA . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.475 -0.298 . . . . 25.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.14 42.2 16.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -157.9 112.55 1.78 Allowed Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.28 145.93 44.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.037 -2.175 . . . . 25.0 111.654 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.33 131.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.423 -2.065 . . . . 25.0 105.423 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.58 149.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.65 132.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.227 -1.398 . . . . 25.0 107.227 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.47 173.77 50.0 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.889 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.51 155.5 36.08 Favored 'Trans proline' 0 C--O 1.236 0.42 0 CA-C-N 118.506 1.153 . . . . 25.0 112.799 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -71.74 159.06 51.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 117.137 -1.442 . . . . 25.0 110.742 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.74 142.71 58.94 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 116.079 -2.148 . . . . 25.0 111.509 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.61 141.59 42.12 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 116.127 -2.115 . . . . 25.0 113.184 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt 52.68 28.58 6.37 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -140.61 147.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.65 -62.93 4.54 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 115.33 0.892 . . . . 25.0 115.33 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.88 179.63 29.33 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.102 -0.571 . . . . 25.0 112.284 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.76 172.16 6.5 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 104.604 -2.369 . . . . 25.0 104.604 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.6 146.38 84.34 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 115.52 -2.52 . . . . 25.0 115.497 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.07 -162.56 52.75 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.152 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -103.89 34.17 3.13 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 45.32 24.83 0.17 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.73 28.12 1.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.723 -0.61 . . . . 25.0 110.436 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -109.59 137.6 47.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.262 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.5 -24.94 60.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.91 89.4 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.3 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.99 92.88 2.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -156.26 140.29 16.36 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.51 159.73 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.727 0.298 . . . . 25.0 111.307 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -159.79 19.75 Favored Glycine 0 C--O 1.222 -0.616 0 C-N-CA 121.088 -0.577 . . . . 25.0 114.256 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.49 102.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.8 mt -133.16 128.89 20.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -80.84 -156.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 N-CA-C 109.13 -1.142 . . . . 25.0 109.13 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.99 128.1 34.78 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 p -125.43 -174.74 3.14 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.316 -1.365 . . . . 25.0 107.316 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 69.48 139.42 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.91 1.284 . . . . 25.0 112.038 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 51.86 39.27 25.46 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.97 0.89 . . . . 25.0 112.31 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.56 -21.93 11.72 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -65.56 -24.81 67.19 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.018 -0.426 . . . . 25.0 111.698 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -113.08 10.37 18.72 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.431 0.634 . . . . 25.0 111.423 -174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mp -77.83 1.92 18.84 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.711 -0.677 . . . . 25.0 112.132 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.14 156.81 1.69 Allowed Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 123.909 0.884 . . . . 25.0 111.768 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -65.82 149.7 86.5 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.78 -1.68 . . . . 25.0 113.826 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.98 159.88 59.61 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.89 160.24 42.1 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 116.989 -1.541 . . . . 25.0 109.658 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.92 -18.67 64.75 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 117.409 -1.261 . . . . 25.0 115.147 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLU . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.06 89.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.06 81.92 60.57 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.17 5.56 2.19 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 N-CA-C 117.299 2.0 . . . . 25.0 117.299 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -90.35 -132.06 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.992 -0.443 . . . . 25.0 112.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.63 -26.38 66.2 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.587 -0.695 . . . . 25.0 111.637 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.16 -39.0 91.16 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.86 174.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.55 -39.4 84.99 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 141' ' ' ILE . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.55 HG23 ' HB1' ' A' ' 56' ' ' ALA . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 110.651 -0.129 . . . . 25.0 110.651 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.04 167.49 26.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -148.46 146.74 23.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.52 94.81 1.06 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 N-CA-C 113.842 0.67 . . . . 25.0 113.842 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -156.02 143.6 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -126.0 109.41 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 103.142 -2.91 . . . . 25.0 103.142 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.73 151.03 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -175.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -113.36 -58.93 0.41 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.505 -0.608 . . . . 25.0 112.959 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 89.2 Cg_endo -73.0 167.79 26.44 Favored 'Trans proline' 0 C--N 1.35 0.643 0 CA-C-N 119.245 1.523 . . . . 25.0 112.023 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 159.26 52.4 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 116.703 -1.731 . . . . 25.0 110.943 175.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.35 157.51 61.39 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.955 -0.897 . . . . 25.0 112.714 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -70.42 163.3 39.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 CA-C-O 121.52 0.55 . . . . 25.0 113.415 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -17.4 64.86 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -150.35 148.75 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.53 -175.55 19.27 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 109.3 -1.52 . . . . 25.0 109.3 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.04 -175.9 35.94 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp 64.98 161.03 0.12 Allowed Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 124.695 1.198 . . . . 25.0 112.15 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.09 148.82 70.27 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.395 -3.27 . . . . 25.0 110.825 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -161.35 -166.89 20.97 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -64.84 -4.32 4.3 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.743 1.386 . . . . 25.0 114.743 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -157.51 133.09 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 t -79.68 -40.45 29.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.511 1.671 . . . . 25.0 115.511 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.4 20.49 2.4 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -171.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -57.83 -39.54 77.9 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 44.62 4.21 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.343 0.592 . . . . 25.0 111.497 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.31 93.39 1.9 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.21 -172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 t0 67.35 173.81 0.26 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.833 1.253 . . . . 25.0 109.715 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.71 25.85 66.45 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 108.887 -1.685 . . . . 25.0 108.887 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -60.49 136.67 58.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -0.691 . . . . 25.0 111.133 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.6 158.44 74.28 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.78 -174.16 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 N-CA-C 113.805 0.656 . . . . 25.0 113.805 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -46.96 -49.36 20.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.873 0.469 . . . . 25.0 111.302 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m 64.52 -48.55 0.31 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -63.68 -18.72 64.27 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 124.188 0.995 . . . . 25.0 109.774 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -58.62 -20.44 47.5 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.229 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -26.94 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.391 -0.818 . . . . 25.0 111.731 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.04 -16.62 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.185 -0.322 . . . . 25.0 110.804 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.37 24.65 10.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.695 0.798 . . . . 25.0 109.884 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.48 1.64 21.61 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -69.43 164.64 47.68 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.08 132.94 38.72 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 113.187 -4.075 . . . . 25.0 109.702 172.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.78 153.16 66.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -69.2 160.49 49.64 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 116.783 -1.678 . . . . 25.0 111.536 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.64 -18.74 65.54 Favored 'Trans proline' 0 C--N 1.345 0.371 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.87 -25.49 48.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -65.87 146.42 99.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.69 168.35 20.3 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 117.955 -0.896 . . . . 25.0 112.589 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -34.49 -54.68 0.53 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.853 2.168 . . . . 25.0 116.853 -173.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -84.51 -34.34 23.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.553 0.945 . . . . 25.0 113.553 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.44 -36.0 82.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.603 -0.686 . . . . 25.0 110.053 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.21 -33.88 69.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.808 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 141' ' ' ILE . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 111' ' ' LEU . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 65' ' ' PHE . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt . . . . . 0 C--O 1.235 0.295 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 111' ' ' LEU . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 C--O 1.222 -0.295 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt . . . . . 0 C--O 1.221 -0.427 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 113.88 0.684 . . . . 25.0 113.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 56' ' ' ALA . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.529 0.259 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 138' ' ' VAL . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 66' ' ' ILE . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 63' ' ' LYS . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt . . . . . 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 138' ' ' VAL . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 134' ' ' TYR . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.472 0.23 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 115' ' ' ILE . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.93 -0.396 . . . . 25.0 109.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 78' ' ' LEU . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.53 0.313 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.978 0.418 . . . . 25.0 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.608 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.566 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 113.443 0.516 . . . . 25.0 113.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 56' ' ' ALA . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.474 0.379 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 119' ' ' ASP . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 113.377 0.881 . . . . 25.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.451 HD11 HD13 ' A' ' 141' ' ' ILE . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 74' ' ' LEU . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.519 HG23 ' HB1' ' A' ' 56' ' ' ALA . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 114.156 0.791 . . . . 25.0 114.156 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 56' ' ' ALA . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 CA--C 1.533 0.473 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt . . . . . 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 74' ' ' LEU . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.599 HG23 ' HB1' ' A' ' 56' ' ' ALA . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 CA--C 1.534 0.479 0 N-CA-C 114.303 0.847 . . . . 25.0 114.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 82' ' ' ALA . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 CA--C 1.532 0.418 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.559 HG23 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.528 0.221 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 118' ' ' LEU . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.553 HG23 ' HB1' ' A' ' 56' ' ' ALA . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.531 0.349 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.478 HG23 ' HB1' ' A' ' 56' ' ' ALA . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.531 0.338 0 N-CA-C 114.571 0.95 . . . . 25.0 114.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' A' ' 65' ' ' PHE . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 73' ' ' SER . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.4 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.604 0.24 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HB3' HD21 ' A' ' 140' ' ' ASN . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.582 HG23 ' HB1' ' A' ' 56' ' ' ALA . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 115.147 1.172 . . . . 25.0 115.147 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLU . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt . . . . . 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 141' ' ' ILE . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.55 HG23 ' HB1' ' A' ' 56' ' ' ALA . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.528 0.208 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 121.095 0.474 . . . . 25.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 141' ' ' ILE . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 111' ' ' LEU . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 119.498 -0.287 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.45 64.74 8.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -130.07 151.19 77.91 Favored Pre-proline 0 N--CA 1.47 0.526 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -76.26 84.65 1.8 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 O-C-N 122.32 0.642 . . . . 25.0 111.88 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 tt -141.99 159.15 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG22 ' H ' ' A' ' 8' ' ' GLY . 8.0 p -129.29 151.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.18 -10.63 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.716 0.769 . . . . 25.0 110.072 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -90.15 -169.43 43.36 Favored Glycine 0 N--CA 1.454 -0.105 0 N-CA-C 110.23 -1.148 . . . . 25.0 110.23 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.09 150.5 77.4 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 116.883 -1.611 . . . . 25.0 111.686 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.4 160.95 43.69 Favored 'Trans proline' 0 C--O 1.238 0.512 0 C-N-CA 118.275 -0.683 . . . . 25.0 112.088 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -69.23 156.23 65.35 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 116.759 -1.694 . . . . 25.0 111.001 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.02 167.42 26.11 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 118.143 -0.772 . . . . 25.0 112.456 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.1 mt 73.05 153.94 0.14 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 25.0 112.084 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -83.57 140.23 32.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.274 -0.875 . . . . 25.0 110.876 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.09 157.19 33.06 Favored Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.984 -0.847 . . . . 25.0 110.984 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.46 -5.54 77.17 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.687 -0.768 . . . . 25.0 112.563 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.57 156.79 69.15 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.17 148.1 43.69 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 115.582 -2.478 . . . . 25.0 111.864 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.61 -178.14 47.75 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 p -122.17 31.58 6.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.81 -34.37 75.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.66 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -127.18 175.43 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 m -65.63 -23.23 66.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.018 0.437 . . . . 25.0 111.146 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -110.36 139.18 45.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.671 0.748 . . . . 25.0 110.303 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.89 -25.68 53.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.126 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.98 26.52 3.77 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -153.13 137.18 16.36 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 122.098 -0.377 . . . . 25.0 111.425 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.52 -51.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.682 0.614 . . . . 25.0 110.228 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.94 -35.95 4.42 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 111.543 -0.623 . . . . 25.0 111.543 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -159.14 150.93 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.46 72.85 77.79 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.808 0.337 . . . . 25.0 111.798 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.5 124.96 9.26 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 117.577 -1.149 . . . . 25.0 112.933 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -43.88 77.38 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -130.05 -7.63 4.39 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 tptp 43.21 -100.69 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -93.66 -0.8 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH11 ' CD ' ' A' ' 47' ' ' GLU . 27.6 ttm180 -59.65 -30.57 68.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.216 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.08 1.141 . . . . 25.0 114.08 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -108.99 -4.53 16.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.266 0.555 . . . . 25.0 110.642 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.91 -39.72 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.382 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -123.82 156.23 65.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -69.44 169.21 19.03 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 117.132 -1.446 . . . . 25.0 109.715 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.73 99.97 4.78 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 122.429 -0.17 . . . . 25.0 110.771 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.22 164.23 31.44 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 116.689 -1.741 . . . . 25.0 111.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.45 -16.17 46.94 Favored 'Trans proline' 0 C--N 1.347 0.46 0 N-CA-C 114.277 0.837 . . . . 25.0 114.277 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -44.35 69.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.966 0.412 . . . . 25.0 110.163 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' CD ' HH11 ' A' ' 37' ' ' ARG . 80.9 mt-10 -79.98 -12.26 59.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.021 0.438 . . . . 25.0 111.521 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -24.97 67.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.01 79.11 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.1 -0.375 . . . . 25.0 110.787 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.52 -46.25 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -64.62 -36.64 84.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.406 0.622 . . . . 25.0 110.785 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.01 84.44 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.372 -0.831 . . . . 25.0 111.582 -176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -70.05 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.511 -0.876 . . . . 25.0 112.476 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.7 -46.67 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 121.975 -0.453 . . . . 25.0 109.865 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 p -68.91 -24.5 64.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.745 -0.597 . . . . 25.0 110.951 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.8 -35.72 75.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 25.0 110.048 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 t -69.27 -21.36 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.956 -0.465 . . . . 25.0 111.794 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -65.6 -28.43 69.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.448 0.642 . . . . 25.0 110.627 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.9 mt -76.1 -23.54 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.5 mt -73.74 -20.61 60.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.393 -0.817 . . . . 25.0 109.747 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -83.45 -0.17 48.92 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.538 0.685 . . . . 25.0 111.836 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.74 -19.94 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.715 -0.615 . . . . 25.0 112.33 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -56.85 -30.45 63.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.102 -0.999 . . . . 25.0 111.017 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.75 -14.36 62.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.56 -31.24 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.293 -0.879 . . . . 25.0 108.706 173.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.27 -41.45 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.479 0.656 . . . . 25.0 110.944 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -75.66 -7.76 55.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.032 0.753 . . . . 25.0 113.032 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 52.35 41.39 30.57 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.828 0.851 . . . . 25.0 110.584 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.56 56.12 3.21 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.336 -0.847 . . . . 25.0 113.177 -174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -47.72 -52.34 39.18 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 115.654 1.724 . . . . 25.0 115.654 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.6 -8.2 15.89 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 115.308 -2.662 . . . . 25.0 114.798 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -90.62 -40.78 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 111.334 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 65' ' ' PHE . 20.9 tp -59.16 -38.04 78.78 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -54.61 -26.5 33.11 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -94.94 -51.55 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.657 0.741 . . . . 25.0 110.411 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.34 -42.09 90.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -35.99 79.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.592 0.71 . . . . 25.0 109.244 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -71.37 -24.41 62.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.007 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.24 -43.27 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -66.35 -42.84 87.51 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.26 91.44 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.135 -0.939 . . . . 25.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.2 m -64.43 -43.89 92.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.941 -0.474 . . . . 25.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.13 -45.15 93.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.236 0.541 . . . . 25.0 109.827 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.02 -40.35 97.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.016 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.33 -42.18 98.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.545 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.74 -45.06 84.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.661 0.267 . . . . 25.0 110.844 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.26 -42.83 87.94 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -39.18 93.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.657 -0.652 . . . . 25.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.4 -32.54 68.72 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.947 0.403 . . . . 25.0 110.078 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 m -77.78 -44.69 26.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.219 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.6 -44.6 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-O 121.379 0.609 . . . . 25.0 111.953 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.45 -17.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.1 t -75.17 -11.38 60.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.22 36.63 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -137.74 163.44 48.24 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -61.78 146.18 96.76 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 116.15 -2.1 . . . . 25.0 111.405 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.03 -30.21 71.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.972 -1.013 . . . . 25.0 112.972 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.09 -61.16 2.19 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.08 -40.25 93.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.528 1.156 . . . . 25.0 110.866 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -71.71 -13.25 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.966 -1.016 . . . . 25.0 113.273 -174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -51.35 -40.96 60.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.939 -0.573 . . . . 25.0 109.705 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -53.29 -40.79 65.0 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.962 0.411 . . . . 25.0 111.901 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -41.83 76.74 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.986 -0.446 . . . . 25.0 110.204 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.27 -26.15 67.2 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -71.7 -36.17 70.48 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.41 -41.41 80.48 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.3 m -57.98 -35.05 70.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.6 m -76.4 -42.82 42.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.66 -0.65 . . . . 25.0 111.94 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -60.7 -40.06 90.84 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.559 0.695 . . . . 25.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -58.79 -45.08 90.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.469 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.83 -26.08 62.24 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.572 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.3 m -65.65 -36.32 83.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.376 -0.529 . . . . 25.0 110.181 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.9 p -74.68 -24.89 58.85 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 110.997 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.85 -43.53 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -62.45 -36.43 82.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 25.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.83 -39.17 87.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.85 -0.34 . . . . 25.0 111.077 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -35.84 76.68 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.863 0.364 . . . . 25.0 110.162 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -43.57 97.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -66.98 -37.82 84.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.761 -0.587 . . . . 25.0 111.113 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 25.0 110.393 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.46 -47.67 69.46 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -65.1 -32.1 73.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -83.45 4.38 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.99 0.424 . . . . 25.0 110.347 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.4 tttt 65.63 27.75 11.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.113 0.965 . . . . 25.0 112.926 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.1 t -102.22 109.19 59.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.56 -24.81 18.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 116.307 -1.996 . . . . 25.0 113.351 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 -43.51 76.42 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.299 0.571 . . . . 25.0 110.345 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.43 -29.2 59.64 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.06 99.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.94 -34.52 75.49 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.133 -0.354 . . . . 25.0 111.134 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -60.73 -47.24 87.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 25.0 110.354 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.62 -20.11 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.358 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.74 -42.75 97.82 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.0 94.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.092 -1.051 . . . . 25.0 112.056 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.74 -39.81 69.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.01 -0.7 . . . . 25.0 112.07 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 p -66.38 -40.43 89.71 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.73 -44.74 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.278 0.49 . . . . 25.0 110.285 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.8 t -62.68 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 25.0 110.786 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.0 -37.13 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.638 -0.255 . . . . 25.0 111.553 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 111' ' ' LEU . 14.1 mm -63.21 -47.48 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.94 -43.32 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.03 -41.14 95.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.199 -0.313 . . . . 25.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.95 -35.9 73.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -35.72 81.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.918 -0.489 . . . . 25.0 111.15 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.3 67.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 25.0 111.11 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -84.82 -7.89 59.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.103 -0.373 . . . . 25.0 111.076 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.63 7.68 39.86 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.337 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.323 0 N-CA-C 109.61 -1.396 . . . . 25.0 109.61 175.276 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 119.119 -0.467 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 38.23 55.18 1.75 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.625 2.083 . . . . 25.0 116.625 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -149.55 64.03 6.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 CA-C-O 121.098 0.475 . . . . 25.0 110.735 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.02 153.16 52.21 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 114.07 0.758 . . . . 25.0 114.07 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.7 pt -136.78 136.82 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -90.14 61.39 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.73 -33.04 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.109 -0.951 . . . . 25.0 110.135 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.43 -175.04 20.67 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.263 -1.135 . . . . 25.0 110.263 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.78 166.36 26.49 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 CA-C-N 118.985 1.392 . . . . 25.0 111.412 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -65.87 153.67 77.15 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.421 -1.253 . . . . 25.0 111.897 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.76 155.45 53.89 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 117.776 -1.016 . . . . 25.0 112.638 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.88 87.07 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 N-CA-C 114.136 0.783 . . . . 25.0 114.136 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt 58.6 13.91 2.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.739 1.215 . . . . 25.0 113.806 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 -2.9 45.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.575 0.702 . . . . 25.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.72 156.38 8.19 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 108.931 -1.667 . . . . 25.0 108.931 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 60.32 4.79 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.33 111.73 64.96 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -68.81 164.47 33.3 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 116.317 -1.989 . . . . 25.0 111.062 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.52 -128.79 2.48 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 109.44 -1.464 . . . . 25.0 109.44 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.2 p -73.65 -8.47 56.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 25.0 109.978 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.8 154.37 47.35 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.89 164.45 38.04 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -66.0 -38.15 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 115.904 1.816 . . . . 25.0 115.904 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -167.2 -49.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.301 0.572 . . . . 25.0 110.04 -172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -145.18 143.06 30.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 134.08 56.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.844 -1.539 . . . . 25.0 106.844 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.88 170.48 0.12 Allowed 'General case' 0 CA--C 1.546 0.79 0 O-C-N 124.973 1.421 . . . . 25.0 113.865 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.67 154.06 9.98 Favored Glycine 0 C--O 1.226 -0.354 0 CA-C-O 122.178 0.877 . . . . 25.0 115.031 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 p -83.08 -18.46 39.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.8 mt 66.63 128.01 0.03 OUTLIER Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.123 1.769 . . . . 25.0 113.548 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.44 159.53 36.06 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.395 -1.937 . . . . 25.0 112.646 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -68.65 -16.91 63.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.383 0.611 . . . . 25.0 111.1 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.1 p -83.69 -0.36 50.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.88 -46.86 84.26 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -136.9 -43.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -63.7 -24.45 67.78 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 113.966 1.098 . . . . 25.0 113.966 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.33 -11.65 60.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -107.56 -38.88 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.67 -37.1 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.349 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -124.05 147.55 54.59 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.12 142.03 59.76 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 113.526 -3.85 . . . . 25.0 108.035 164.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -60.65 109.89 2.45 Favored Pre-proline 0 CA--C 1.557 1.248 0 N-CA-C 112.476 0.547 . . . . 25.0 112.476 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -85.82 163.41 10.51 Favored 'Trans proline' 0 C--N 1.352 0.732 0 N-CA-C 114.531 0.935 . . . . 25.0 114.531 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.25 -20.71 27.76 Favored 'Trans proline' 0 C--N 1.353 0.8 0 N-CA-C 113.959 0.715 . . . . 25.0 113.959 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 m -67.66 -45.49 75.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.594 0.711 . . . . 25.0 110.346 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.42 -8.88 59.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.893 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.15 -26.92 68.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.49 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 25.0 110.409 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.48 -40.7 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.838 0.352 . . . . 25.0 110.235 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -60.08 -43.07 95.74 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.069 0.462 . . . . 25.0 109.82 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.26 73.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.093 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.61 -39.1 93.51 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.125 -0.63 . . . . 25.0 110.366 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.47 -44.65 76.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 m -62.69 -29.76 70.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.999 0.428 . . . . 25.0 111.92 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.6 -30.7 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 25.0 110.661 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -71.57 -24.82 61.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -61.49 -30.27 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 25.0 110.859 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -28.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.138 -0.483 . . . . 25.0 109.883 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.73 -20.56 66.32 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.525 -0.734 . . . . 25.0 111.295 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -69.16 -16.91 63.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.43 -4.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.07 -33.92 74.08 Favored 'General case' 0 C--O 1.217 -0.605 0 O-C-N 121.157 -0.964 . . . . 25.0 108.676 171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -21.1 63.59 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.86 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.457 -0.777 . . . . 25.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -60.91 -45.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.92 -34.63 75.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.464 0.649 . . . . 25.0 111.583 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -73.15 -21.45 60.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.288 -0.415 . . . . 25.0 111.911 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 tttt 55.71 29.04 13.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.839 0.856 . . . . 25.0 111.994 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.51 63.08 6.49 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.726 -0.67 . . . . 25.0 112.348 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -48.08 -54.64 22.96 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 116.803 2.149 . . . . 25.0 116.803 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -80.38 -23.64 6.0 Favored 'Trans proline' 0 C--N 1.355 0.914 1 C-N-CA 113.139 -4.107 . . . . 25.0 114.852 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -71.33 -28.89 64.41 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.31 -32.37 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -54.96 -41.66 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 25.0 111.095 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -72.82 -48.43 37.9 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -57.63 -46.73 83.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.978 -0.555 . . . . 25.0 112.14 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -69.19 -50.59 46.14 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.411 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -70.32 -25.39 63.28 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 -172.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.02 -50.25 66.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.442 0.565 . . . . 25.0 110.685 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -70.68 -34.45 72.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.781 0.324 . . . . 25.0 110.249 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.53 95.32 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -61.08 -42.87 99.31 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.619 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.79 -44.34 96.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 25.0 110.371 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.4 tp -61.88 -36.45 81.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.198 0.523 . . . . 25.0 110.87 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -31.8 70.91 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.934 -0.479 . . . . 25.0 111.064 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -73.96 -40.56 62.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.56 -51.86 68.03 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.19 -34.37 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -65.32 -24.06 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.985 -0.286 . . . . 25.0 110.26 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 m -86.26 -39.8 16.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.255 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.59 -44.17 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.113 0.482 . . . . 25.0 111.878 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -64.36 -13.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 m -85.51 -11.48 54.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.406 0.151 . . . . 25.0 111.406 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.33 75.5 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 108.602 -0.888 . . . . 25.0 108.602 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.05 81.85 26.15 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 108.942 -0.762 . . . . 25.0 108.942 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.72 52.2 3.88 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.189 1.259 . . . . 25.0 113.114 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -115.77 -141.5 0.37 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.415 -0.357 . . . . 25.0 110.643 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.71 -43.59 85.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.489 0.662 . . . . 25.0 111.885 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.83 -20.93 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -60.11 -35.94 76.37 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 122.072 -0.392 . . . . 25.0 109.982 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -73.19 -50.08 24.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.05 -0.406 . . . . 25.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -60.72 -39.13 87.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 25.0 111.31 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.35 -40.38 67.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.716 -0.615 . . . . 25.0 111.622 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -69.25 -32.63 71.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.78 -32.64 69.83 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.125 -1.03 . . . . 25.0 110.659 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.92 -34.9 64.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.872 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.3 m -58.04 -43.96 87.14 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -69.95 -39.48 76.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.036 0.446 . . . . 25.0 111.721 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.75 -39.78 91.42 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.65 -43.59 98.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -69.72 -24.8 63.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.3 t -66.21 -32.98 74.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -74.86 -28.83 60.83 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 120.929 0.395 . . . . 25.0 110.917 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.45 -43.71 94.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.47 -43.22 90.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -75.49 -24.29 56.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.805 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.0 -38.67 79.41 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.1 -44.01 90.18 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.161 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.32 -38.55 91.61 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.426 -0.796 . . . . 25.0 111.306 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.85 74.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 25.0 110.9 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -75.6 -23.7 56.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.6 tp -80.9 -7.96 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 66.89 30.0 7.98 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 25.0 112.647 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.6 t -101.49 102.39 21.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.26 -27.99 28.19 Favored 'Trans proline' 0 C--O 1.214 -0.682 0 C-N-CA 115.583 -2.478 . . . . 25.0 112.841 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -37.86 85.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.0 0.429 . . . . 25.0 111.054 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.284 -0.635 . . . . 25.0 109.284 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.62 88.36 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.458 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.46 -38.61 90.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.081 -0.387 . . . . 25.0 111.162 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -48.04 71.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.071 -0.393 . . . . 25.0 109.975 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -65.54 -32.78 74.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.076 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.2 -45.87 92.79 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 122.133 -0.354 . . . . 25.0 110.108 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.57 97.31 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.474 -0.87 . . . . 25.0 112.21 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.47 -37.65 85.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.142 -0.622 . . . . 25.0 110.259 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.4 m -68.21 -41.49 81.25 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -57.67 -44.12 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -63.45 -42.64 98.66 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.219 -0.301 . . . . 25.0 111.223 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -67.01 -35.51 80.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.152 -0.342 . . . . 25.0 111.114 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.527 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.6 mt -65.02 -45.12 95.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -58.8 -42.69 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.4 -42.03 96.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.258 0.552 . . . . 25.0 111.81 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -35.84 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.25 -35.32 79.93 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 122.073 -0.392 . . . . 25.0 111.394 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.699 0.285 . . . . 25.0 110.41 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -76.82 -10.88 59.68 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.0 mt -98.61 4.84 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.947 -0.918 . . . . 25.0 111.896 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 120.339 0.114 . . . . 25.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 151.12 47.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -157.78 159.22 30.61 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.37 147.0 64.42 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 115.516 -2.523 . . . . 25.0 111.198 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.43 167.65 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.47 148.3 30.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.69 145.55 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.119 -2.178 . . . . 25.0 105.119 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.62 -161.15 46.06 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.724 -0.95 . . . . 25.0 110.724 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.82 161.98 42.32 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 CA-C-N 118.775 1.288 . . . . 25.0 112.241 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.14 160.94 47.84 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 117.76 -1.027 . . . . 25.0 111.999 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.18 160.04 50.54 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 O-C-N 121.778 0.357 . . . . 25.0 112.57 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -78.81 15.23 1.51 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.439 1.426 . . . . 25.0 115.146 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.87 161.36 42.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.805 -2.295 . . . . 25.0 104.805 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -143.53 177.57 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.675 0.274 . . . . 25.0 111.089 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.58 137.44 9.39 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 110.561 -1.015 . . . . 25.0 110.561 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.48 6.38 88.98 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.072 -0.585 . . . . 25.0 114.13 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -142.99 158.93 58.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 106.963 -1.495 . . . . 25.0 106.963 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.42 153.26 60.98 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 116.48 -1.88 . . . . 25.0 112.708 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.2 -165.43 32.95 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 106.828 -2.509 . . . . 25.0 106.828 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 p -72.32 -24.1 61.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.607 1.204 . . . . 25.0 110.532 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.73 -11.73 58.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 25.0 109.757 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 58.3 -163.0 0.21 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.342 1.057 . . . . 25.0 112.956 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -148.64 170.42 18.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.79 -1.93 . . . . 25.0 105.79 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -78.08 -31.89 50.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.876 0.37 . . . . 25.0 111.438 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -141.49 -39.6 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.695 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.02 -150.48 0.42 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.003 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -112.19 -34.02 6.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.21 -159.4 0.16 Allowed 'General case' 0 CA--C 1.544 0.718 0 O-C-N 124.389 1.055 . . . . 25.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.73 144.0 4.93 Favored Glycine 0 C--O 1.226 -0.393 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -114.29 133.82 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.5 123.02 84.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.91 157.82 27.35 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 117.12 -1.453 . . . . 25.0 113.776 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -106.84 148.24 28.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 173.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.5 p -74.16 147.3 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.807 -0.757 . . . . 25.0 109.019 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -142.38 143.32 32.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 63.85 -13.65 0.09 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -60.43 -29.23 68.87 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.896 -0.502 . . . . 25.0 110.527 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -65.31 -11.11 38.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -96.48 -24.3 16.16 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.052 0.453 . . . . 25.0 110.289 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.95 -45.17 11.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -123.96 152.85 67.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -65.43 146.17 84.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 114.916 -2.922 . . . . 25.0 108.878 170.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.8 119.27 53.1 Favored Pre-proline 0 CA--C 1.545 0.765 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.85 162.62 32.2 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 116.985 -1.543 . . . . 25.0 110.934 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -66.86 -17.64 52.02 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 117.906 -0.93 . . . . 25.0 113.88 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -69.54 -42.41 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.922 0.392 . . . . 25.0 111.184 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.51 -28.16 59.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.864 -0.522 . . . . 25.0 109.629 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -29.42 70.62 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.54 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 25.0 110.142 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -67.42 -40.25 85.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.679 -0.408 . . . . 25.0 109.97 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -65.02 -36.67 85.14 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.065 -0.397 . . . . 25.0 110.984 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.97 73.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -63.6 -35.26 79.94 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.51 -44.32 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -37.71 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.332 0.587 . . . . 25.0 111.186 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.407 . . . . 25.0 110.957 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t -68.64 -28.32 66.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.512 -0.313 . . . . 25.0 111.692 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.74 -31.18 71.34 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.702 -0.623 . . . . 25.0 111.092 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.4 -24.48 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 116.044 -0.525 . . . . 25.0 109.979 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.51 -21.73 64.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.243 -0.911 . . . . 25.0 111.136 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.25 -8.1 59.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.98 -10.25 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.7 -27.21 68.54 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.523 -0.736 . . . . 25.0 110.555 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.8 -32.5 52.86 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.82 -0.627 . . . . 25.0 112.379 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.77 -30.61 45.71 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.769 -0.582 . . . . 25.0 111.84 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.31 -44.08 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.978 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -79.51 2.7 21.11 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.0 tttt 61.59 19.0 10.03 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.642 0.734 . . . . 25.0 111.04 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.63 65.29 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.313 -171.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -52.33 -47.7 91.93 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.47 1.656 . . . . 25.0 115.47 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.73 -26.18 16.33 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 113.416 -3.923 . . . . 25.0 114.367 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.59 -34.44 67.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -44.37 76.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.671 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -38.06 63.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.116 0.484 . . . . 25.0 110.953 174.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -73.49 -66.6 0.67 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.063 0.458 . . . . 25.0 111.601 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.39 82.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -170.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.18 -43.34 95.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.145 0.497 . . . . 25.0 110.716 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -77.08 -26.41 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.578 -0.283 . . . . 25.0 111.258 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.26 -47.85 72.39 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -64.71 -37.44 87.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 122.248 -0.283 . . . . 25.0 110.979 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.81 82.33 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.1 m -70.38 -40.23 74.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.58 -45.28 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.82 -37.01 85.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.179 0.514 . . . . 25.0 110.05 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.35 -42.98 99.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.653 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -64.1 -43.41 95.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.559 -0.457 . . . . 25.0 110.338 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.39 -52.35 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.867 0.365 . . . . 25.0 110.198 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.25 -35.33 78.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -64.93 -22.11 66.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.817 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.2 m -86.23 -45.0 11.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.169 -0.308 . . . . 25.0 110.169 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -56.14 -41.27 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.7 pt -61.73 -14.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 m -75.88 -11.7 60.02 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.48 76.04 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -144.97 81.25 10.75 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.265 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.74 47.84 1.78 Allowed 'Trans proline' 0 CA--C 1.547 1.171 0 C-N-CA 121.853 1.702 . . . . 25.0 115.81 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -132.93 -120.85 0.19 Allowed 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.455 -0.778 . . . . 25.0 111.665 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.47 -41.47 88.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.181 0.901 . . . . 25.0 111.399 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.61 -37.78 79.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.296 -0.411 . . . . 25.0 110.217 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -61.11 -41.36 96.56 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.01 -49.91 46.7 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.4 t -56.32 -45.5 80.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.406 . . . . 25.0 111.845 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.93 -42.74 99.9 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.314 -0.241 . . . . 25.0 111.331 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.21 -46.69 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.024 -0.67 . . . . 25.0 109.491 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.88 -37.87 76.2 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.114 -0.634 . . . . 25.0 110.778 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.4 m -57.26 -45.55 83.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -71.88 -39.9 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.43 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.82 -39.34 84.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.916 0.389 . . . . 25.0 110.237 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.165 0.507 . . . . 25.0 109.659 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.2 -27.97 64.92 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.731 -0.387 . . . . 25.0 111.678 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -66.93 -41.47 86.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.099 -0.376 . . . . 25.0 110.621 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -32.93 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.52 -41.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.787 0.327 . . . . 25.0 110.491 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.43 -38.8 90.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.265 0.555 . . . . 25.0 109.921 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.99 -39.55 87.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.983 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.29 -43.3 98.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.059 -0.348 . . . . 25.0 110.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.31 -45.57 90.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.872 0.367 . . . . 25.0 110.191 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -64.92 -38.25 90.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.131 -0.98 . . . . 25.0 111.811 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.21 89.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.354 0.597 . . . . 25.0 110.613 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.04 60.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.292 -0.413 . . . . 25.0 110.633 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.63 -32.84 74.44 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -81.93 7.9 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 120.897 0.38 . . . . 25.0 111.027 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.6 tttt 67.25 35.74 4.3 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.184 0.994 . . . . 25.0 112.004 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.4 85.45 4.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.02 -30.06 48.09 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 117.257 -1.362 . . . . 25.0 114.566 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -34.53 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.033 0.444 . . . . 25.0 110.886 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -75.64 -33.99 60.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.69 -36.86 83.51 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.169 -0.332 . . . . 25.0 110.991 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.84 -47.95 82.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.245 -0.284 . . . . 25.0 110.357 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -73.12 -26.83 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.973 -0.291 . . . . 25.0 111.304 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.48 -45.97 88.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.03 -38.73 96.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.464 -0.874 . . . . 25.0 111.904 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.83 -42.2 90.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.108 -0.642 . . . . 25.0 111.51 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -73.04 -25.04 60.8 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 119.615 -0.834 . . . . 25.0 111.184 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.5 -43.84 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.118 0.872 . . . . 25.0 108.817 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.5 t -63.83 -44.03 94.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.084 0.468 . . . . 25.0 109.786 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.26 -42.6 95.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.134 0.492 . . . . 25.0 111.585 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 56' ' ' ALA . 38.7 mt -62.15 -40.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.01 -41.81 94.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.241 -0.287 . . . . 25.0 111.063 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.67 -39.21 93.22 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.688 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.23 -37.36 71.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.07 -34.56 78.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 122.064 -0.397 . . . . 25.0 111.328 -175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.81 -29.54 67.91 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 123.22 0.325 . . . . 25.0 111.293 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -85.93 -7.24 58.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.361 0.601 . . . . 25.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -104.41 11.31 34.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.988 -1.005 . . . . 25.0 108.86 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.042 -1.421 . . . . 25.0 112.077 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.585 -0.245 . . . . 25.0 111.62 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -44.36 65.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 54.68 71.08 1.4 Allowed Pre-proline 0 N--CA 1.483 1.211 0 C-N-CA 123.152 0.581 . . . . 25.0 112.203 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.07 154.56 69.78 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 117.712 -1.059 . . . . 25.0 112.058 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.65 137.66 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.698 0.761 . . . . 25.0 110.909 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.31 -10.75 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.652 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.33 -24.44 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.54 50.92 59.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 117.584 1.794 . . . . 25.0 117.584 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.67 158.85 46.68 Favored 'Trans proline' 0 C--N 1.348 0.551 0 CA-C-N 120.071 1.936 . . . . 25.0 110.721 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.74 147.96 64.13 Favored 'Trans proline' 0 C--O 1.242 0.687 0 C-N-CA 115.447 -2.569 . . . . 25.0 111.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.1 147.19 66.55 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 117.36 -1.294 . . . . 25.0 112.336 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 160.1 31.31 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 118.088 -0.808 . . . . 25.0 113.615 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 mt 53.28 28.84 7.7 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 p -147.34 163.72 35.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 8.88 67.61 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 114.073 0.389 . . . . 25.0 114.073 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.91 -179.77 38.67 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.97 153.23 94.8 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.3 166.86 27.96 Favored 'Trans proline' 0 C--N 1.351 0.675 0 N-CA-C 113.936 0.706 . . . . 25.0 113.936 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.82 -24.08 4.91 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.609 -0.723 . . . . 25.0 111.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -70.31 154.52 41.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 51.3 32.24 8.05 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.36 -51.77 0.6 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.57 1.548 . . . . 25.0 113.661 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m 48.41 -143.7 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.353 0.661 . . . . 25.0 111.356 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -107.9 178.01 4.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.638 -1.986 . . . . 25.0 105.638 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -83.5 43.36 0.89 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.51 159.84 27.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.207 0.527 . . . . 25.0 110.427 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -157.04 141.96 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -128.64 178.88 6.01 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.76 164.73 12.91 Favored Glycine 0 C--O 1.222 -0.645 0 CA-C-O 120.993 0.219 . . . . 25.0 113.071 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -159.14 166.6 31.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.05 153.39 35.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 118.476 0.58 . . . . 25.0 111.809 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.78 161.97 30.08 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 117.607 -1.129 . . . . 25.0 112.488 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.45 67.03 9.18 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p 65.77 176.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.419 1.488 . . . . 25.0 112.397 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -142.96 -50.64 0.35 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.532 0.682 . . . . 25.0 111.947 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -87.52 -21.92 25.17 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.16 0.984 . . . . 25.0 111.75 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.61 -18.4 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.22 -25.99 9.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 25.0 111.12 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.13 -44.39 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.272 -0.422 . . . . 25.0 112.085 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -124.54 159.83 56.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.338 -0.392 . . . . 25.0 110.802 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -69.3 166.0 28.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 116.515 -1.857 . . . . 25.0 110.599 169.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.1 96.57 5.95 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 122.322 0.249 . . . . 25.0 110.8 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.18 160.53 39.46 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 117.351 -1.299 . . . . 25.0 112.3 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.57 -17.61 48.4 Favored 'Trans proline' 0 C--N 1.35 0.636 0 N-CA-C 114.837 1.053 . . . . 25.0 114.837 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -70.58 -45.88 64.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.222 0.534 . . . . 25.0 110.493 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.5 -21.37 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 25.0 110.609 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -24.46 66.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.96 75.49 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 120.664 0.269 . . . . 25.0 110.666 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.62 -41.79 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 25.0 111.129 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -66.84 -34.25 77.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.814 0.34 . . . . 25.0 110.964 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -26.16 68.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.624 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.77 -36.87 84.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.055 -0.403 . . . . 25.0 109.953 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.82 -43.13 69.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.198 0.523 . . . . 25.0 111.909 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.55 -32.26 64.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 25.0 110.849 176.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.2 m -73.91 -21.27 60.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.739 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.36 -28.93 70.33 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.438 0.637 . . . . 25.0 110.513 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.38 -32.26 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 138' ' ' VAL . 62.1 mt -72.05 -25.63 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -63.21 -33.07 74.7 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.709 0.766 . . . . 25.0 111.069 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.47 -4.07 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.145 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 66' ' ' ILE . 78.9 tttt -50.7 -35.06 29.28 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.529 -0.732 . . . . 25.0 112.125 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -61.75 -18.58 60.35 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.07 -28.11 14.28 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.127 0.489 . . . . 25.0 110.479 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 63' ' ' LYS . 97.4 mt -70.12 -40.4 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 114.863 -1.062 . . . . 25.0 111.575 -175.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.45 0.88 13.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -123.04 -106.18 0.36 Allowed 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -149.47 22.59 0.92 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.255 1.206 . . . . 25.0 114.255 -165.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.82 39.78 0.71 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -44.29 -55.47 9.76 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 -174.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.74 -16.51 12.94 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 114.757 -3.029 . . . . 25.0 115.107 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -91.02 -38.68 12.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.019 -0.425 . . . . 25.0 111.437 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.83 -39.31 91.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.743 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.93 -25.59 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -95.09 -53.09 3.94 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 120.857 0.361 . . . . 25.0 111.202 176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.9 -36.81 85.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -171.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.25 -37.07 82.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -73.19 -21.43 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.088 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.35 -41.21 70.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.583 0.629 . . . . 25.0 109.827 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -66.19 -38.06 87.09 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.771 -0.825 . . . . 25.0 108.771 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.64 98.01 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.788 -0.642 . . . . 25.0 109.73 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.2 m -63.66 -39.26 93.89 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.604 -0.685 . . . . 25.0 111.1 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.46 -44.53 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 25.0 109.984 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.08 -43.04 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 25.0 110.872 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 112' ' ' PHE . 7.0 tpt180 -57.28 -41.93 80.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.698 -0.228 . . . . 25.0 111.436 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.75 -44.91 88.59 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.367 . . . . 25.0 111.178 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -72.47 -42.3 65.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.311 0.577 . . . . 25.0 111.172 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.598 -0.689 . . . . 25.0 110.532 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.259 -0.276 . . . . 25.0 111.048 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.5 m -78.4 -41.02 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.86 -46.13 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.089 0.471 . . . . 25.0 111.629 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.37 -16.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.94 0.718 . . . . 25.0 112.94 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 t -69.92 -24.73 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.178 -0.209 . . . . 25.0 110.981 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.26 -20.73 20.13 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.079 0.466 . . . . 25.0 111.712 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -72.47 148.25 90.44 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.19 162.2 36.91 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.973 -1.551 . . . . 25.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -48.72 -37.84 19.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -172.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.55 -57.31 5.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.39 -35.19 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.238 0.542 . . . . 25.0 110.886 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -57.76 -42.16 83.41 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -71.31 -44.72 64.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.3 t -56.93 -49.27 76.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.967 0.413 . . . . 25.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.212 -0.305 . . . . 25.0 111.694 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.77 -35.42 78.09 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 121.034 -0.266 . . . . 25.0 111.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.2 -41.18 77.46 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.158 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.51 -37.6 85.38 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.718 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.8 m -61.89 -35.89 79.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.0 t -72.63 -42.68 64.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.63 -0.669 . . . . 25.0 111.339 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.42 -36.04 82.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.19 -42.55 91.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.7 0.762 . . . . 25.0 109.548 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.472 ' CZ ' ' HD3' ' A' ' 86' ' ' ARG . 4.0 m-85 -74.86 -24.19 58.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.542 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.9 m -69.7 -36.67 76.16 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.793 -0.447 . . . . 25.0 109.793 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.18 -37.69 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.14 -0.482 . . . . 25.0 109.719 175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.72 -37.79 82.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.843 -0.535 . . . . 25.0 111.261 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.59 -37.81 87.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.598 . . . . 25.0 109.802 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.85 -40.83 92.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.437 0.637 . . . . 25.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.31 97.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.601 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -67.33 -37.34 83.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.66 -0.65 . . . . 25.0 111.748 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.99 85.62 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.188 0.518 . . . . 25.0 110.168 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.85 77.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.053 -0.405 . . . . 25.0 110.67 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.64 -32.46 73.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.134 -0.354 . . . . 25.0 111.358 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -85.07 1.7 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.139 0.495 . . . . 25.0 110.707 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 68.7 32.68 4.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.955 1.302 . . . . 25.0 113.969 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.4 m -109.19 86.63 4.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.06 -22.12 31.15 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.857 -1.629 . . . . 25.0 112.937 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -44.97 90.42 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -30.87 69.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.802 -0.561 . . . . 25.0 110.29 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.54 81.08 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.03 -36.39 79.85 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.755 -0.59 . . . . 25.0 111.395 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.44 -44.98 95.11 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -70.54 -30.14 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.159 -0.216 . . . . 25.0 111.239 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 138' ' ' VAL . 75.7 t80 -62.58 -44.89 95.21 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.66 -39.98 97.34 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.341 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.77 -37.1 85.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.118 0.485 . . . . 25.0 109.973 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.0 m -67.12 -39.33 86.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.15 -0.344 . . . . 25.0 110.085 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 134' ' ' TYR . 49.6 t -59.48 -43.9 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.7 t -61.91 -46.91 87.3 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.834 0.35 . . . . 25.0 110.156 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -35.15 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.204 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.7 mt -64.46 -46.45 92.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.4 -40.5 86.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 25.0 111.772 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.89 -37.82 87.12 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.998 -0.439 . . . . 25.0 112.184 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.49 -39.24 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.99 -38.8 89.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.495 -0.32 . . . . 25.0 111.136 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.33 68.8 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -90.02 -12.93 37.14 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.44 -33.3 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 CA-C-O 117.356 -1.802 . . . . 25.0 108.707 -176.493 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 110.248 -0.278 . . . . 25.0 110.248 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.66 -20.43 58.46 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.045 0.45 . . . . 25.0 111.779 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -88.57 151.41 48.02 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 119.109 -0.472 . . . . 25.0 109.801 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -75.61 62.17 6.29 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.026 1.817 . . . . 25.0 111.644 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.89 9.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.825 0.821 . . . . 25.0 109.645 -173.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.85 124.41 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 25.0 109.852 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -84.39 138.36 19.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.47 -177.46 37.76 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 109.836 -1.305 . . . . 25.0 109.836 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.53 160.03 45.09 Favored 'Trans proline' 0 C--O 1.238 0.496 0 CA-C-N 118.671 1.235 . . . . 25.0 111.722 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -69.57 163.43 38.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 117.46 -1.227 . . . . 25.0 110.821 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.12 147.78 91.43 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 117.156 -1.429 . . . . 25.0 111.833 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.06 7.53 4.32 Favored 'Trans proline' 0 C--N 1.347 0.469 0 N-CA-C 115.867 1.449 . . . . 25.0 115.867 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.37 -72.3 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.1 p -160.35 158.63 29.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.31 -179.55 28.3 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.435 -0.412 . . . . 25.0 113.124 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.28 -176.12 47.92 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 105.752 -2.939 . . . . 25.0 105.752 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.91 149.97 31.5 Favored Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 118.478 1.139 . . . . 25.0 109.733 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.0 166.84 26.12 Favored 'Trans proline' 0 C--N 1.349 0.591 0 O-C-N 121.967 0.457 . . . . 25.0 111.701 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.09 21.86 66.91 Favored Glycine 0 C--O 1.221 -0.718 0 C-N-CA 120.499 -0.858 . . . . 25.0 113.848 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -64.91 -15.05 61.59 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 122.409 -0.465 . . . . 25.0 111.479 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.95 -12.0 59.95 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 t30 57.25 26.53 12.41 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.893 1.442 . . . . 25.0 114.893 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -77.96 -31.27 50.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.162 0.506 . . . . 25.0 109.841 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.24 179.5 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.6 90.4 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.48 124.53 17.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.005 0.907 . . . . 25.0 111.849 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -91.66 3.06 55.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.008 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 55.6 -136.22 1.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.273 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.24 24.01 49.39 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 109.761 -1.336 . . . . 25.0 109.761 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p -71.03 123.05 21.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.365 0.602 . . . . 25.0 110.006 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.19 78.98 75.17 Favored Pre-proline 0 N--CA 1.469 0.51 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.094 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.22 166.24 29.35 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 118.135 -0.776 . . . . 25.0 110.846 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -70.91 135.3 47.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -141.26 169.88 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm 41.89 74.13 0.12 Allowed 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.363 1.616 . . . . 25.0 115.363 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.0 28.26 14.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 167.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.47 36.27 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 114.633 1.345 . . . . 25.0 114.633 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -74.96 -10.52 59.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -112.11 -38.2 4.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.309 0.576 . . . . 25.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.66 -30.75 56.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.599 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -124.01 148.26 56.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.82 166.31 30.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 118.167 -0.755 . . . . 25.0 111.406 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -122.38 75.75 43.34 Favored Pre-proline 0 N--CA 1.469 0.498 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.55 165.54 31.53 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 118.286 -0.676 . . . . 25.0 110.921 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.24 -20.93 67.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 N-CA-C 115.433 1.282 . . . . 25.0 115.433 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -68.95 -42.97 75.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.321 0.582 . . . . 25.0 110.506 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -81.51 -10.08 59.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.872 0.368 . . . . 25.0 111.694 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.45 75.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 110.164 -0.31 . . . . 25.0 110.164 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.59 -36.75 81.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 25.0 110.077 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -65.17 -40.74 94.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.57 -31.97 71.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.102 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.23 -44.34 88.19 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.375 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.15 -44.47 56.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.31 -0.404 . . . . 25.0 110.156 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 m -60.33 -31.96 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.573 0.583 . . . . 25.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.44 -38.78 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.901 0.382 . . . . 25.0 110.941 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -67.14 -25.92 66.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.693 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.54 -33.48 71.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.287 0.565 . . . . 25.0 111.583 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.6 mt -69.12 -23.93 27.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 121.831 -0.543 . . . . 25.0 110.456 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.56 -22.28 65.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.019 -1.051 . . . . 25.0 110.567 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.22 -18.74 63.17 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.89 0.376 . . . . 25.0 111.757 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.67 -9.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.201 0.524 . . . . 25.0 111.43 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -57.71 -31.73 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.181 -0.949 . . . . 25.0 110.643 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.34 -17.28 63.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.637 -0.664 . . . . 25.0 109.963 177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.54 -38.13 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.75 -40.34 55.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.355 0.598 . . . . 25.0 111.815 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -70.23 -27.67 64.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 55.74 41.18 30.6 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.65 0.738 . . . . 25.0 112.342 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.24 60.64 2.54 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.662 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -45.19 -53.33 17.51 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 118.108 2.633 . . . . 25.0 118.108 -171.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -80.2 -22.22 7.27 Favored 'Trans proline' 0 C--N 1.352 0.717 1 C-N-CA 113.236 -4.042 . . . . 25.0 115.076 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -87.32 -12.83 45.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.156 1.539 . . . . 25.0 115.156 -169.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.5 tp -55.81 -40.98 73.51 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -51.64 -36.07 44.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.69 -51.9 20.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.323 0.582 . . . . 25.0 110.592 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.15 -38.85 89.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.115 0.959 . . . . 25.0 111.637 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 115' ' ' ILE . 28.9 tp -72.98 -40.54 65.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.98 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 120.039 -0.664 . . . . 25.0 112.519 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.2 -47.3 86.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 84.4 mtt85 -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 25.0 111.608 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.88 81.14 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.999 0.428 . . . . 25.0 110.419 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -67.16 -34.85 78.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.658 -0.247 . . . . 25.0 111.334 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 81' ' ' ARG . 14.7 m-85 -61.9 -42.66 99.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.564 -0.532 . . . . 25.0 109.564 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.06 -43.61 94.95 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 121.381 0.61 . . . . 25.0 109.83 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.09 -41.08 78.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.266 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.4 -44.97 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.125 0.421 . . . . 25.0 111.729 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.44 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.098 0.475 . . . . 25.0 110.845 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.04 -30.32 70.36 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.258 -0.276 . . . . 25.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.34 -35.45 79.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 m -76.45 -46.63 26.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.593 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.67 -44.06 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.331 0.863 . . . . 25.0 113.331 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -60.14 -21.22 21.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 m -64.34 -27.21 68.86 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.077 -0.389 . . . . 25.0 111.675 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.83 6.59 38.31 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -113.25 149.33 41.29 Favored Pre-proline 0 C--O 1.242 0.68 0 N-CA-C 112.265 0.469 . . . . 25.0 112.265 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -69.4 169.81 17.59 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 120.654 0.903 . . . . 25.0 112.317 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -46.27 -45.92 17.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.8 1.407 . . . . 25.0 114.8 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.52 -49.47 47.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.11 -33.53 76.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.783 -0.573 . . . . 25.0 110.062 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.77 -39.09 83.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -71.91 -51.08 23.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.16 -0.311 . . . . 25.0 110.16 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.2 t -57.51 -43.9 84.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 25.0 111.571 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.14 -40.87 95.02 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 122.118 -0.364 . . . . 25.0 111.122 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.01 -39.81 95.87 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.247 0.476 . . . . 25.0 111.039 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.76 -39.53 80.2 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.065 -0.254 . . . . 25.0 111.12 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -36.47 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.374 -0.53 . . . . 25.0 111.602 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.6 m -58.76 -41.13 85.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 t -72.67 -34.88 67.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.457 0.539 . . . . 25.0 112.457 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -60.21 -39.59 87.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.22 -42.46 98.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.914 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.89 -19.36 64.22 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.2 t -66.17 -42.09 89.43 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -68.77 -30.11 68.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.931 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 78' ' ' LEU . 22.4 mm -61.45 -50.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 122.191 0.196 . . . . 25.0 110.999 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.93 -32.14 68.95 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.951 -0.699 . . . . 25.0 111.417 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -67.56 -33.23 74.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.798 -0.564 . . . . 25.0 110.787 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -36.95 85.62 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.46 -34.64 70.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -66.48 -38.5 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.59 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.136 0.493 . . . . 25.0 110.405 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.83 77.77 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.931 0.396 . . . . 25.0 109.979 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -71.38 -25.85 62.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.67 -4.29 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 79.3 mttt 66.72 27.49 9.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.188 1.395 . . . . 25.0 114.3 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 m -99.69 102.22 16.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 25.0 109.958 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.37 -32.12 50.94 Favored 'Trans proline' 0 C--O 1.212 -0.799 0 C-N-CA 116.038 -2.174 . . . . 25.0 113.633 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -22.32 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -36.28 24.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.68 88.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.746 -0.835 . . . . 25.0 108.746 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.37 -35.63 81.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.129 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -49.99 69.76 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.051 -0.406 . . . . 25.0 110.397 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -70.02 -31.01 68.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.598 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -61.74 -45.78 92.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.13 -41.5 99.49 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.273 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -64.68 -35.83 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.246 -0.561 . . . . 25.0 110.25 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.3 m -65.87 -36.77 84.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.528 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.28 -45.43 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 118.756 0.707 . . . . 25.0 109.361 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 m -64.28 -38.71 92.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 25.0 110.904 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.57 -40.66 95.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.077 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.7 mt -61.19 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -59.23 -43.33 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.25 -43.74 93.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.755 0.65 . . . . 25.0 112.755 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.02 -38.2 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.03 -22.89 44.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.15 -25.81 66.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.044 0.45 . . . . 25.0 110.169 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -85.82 -7.09 58.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.819 0.342 . . . . 25.0 111.574 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.18 11.04 21.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.972 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 CA-C-O 118.346 -1.252 . . . . 25.0 110.078 174.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.15 -0.928 . . . . 25.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.53 68.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.041 1.291 . . . . 25.0 111.386 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -126.59 152.26 74.28 Favored Pre-proline 0 C--O 1.246 0.875 0 N-CA-C 103.637 -2.727 . . . . 25.0 103.637 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.18 143.58 54.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 116.751 -1.7 . . . . 25.0 112.791 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 tt -165.5 158.38 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -101.05 122.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.152 -2.166 . . . . 25.0 105.152 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 p -131.28 5.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.023 0.915 . . . . 25.0 111.804 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.56 -61.12 0.33 Allowed Glycine 0 C--O 1.229 -0.216 0 CA-C-O 119.136 -0.813 . . . . 25.0 112.428 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -69.08 157.63 60.98 Favored 'Trans proline' 0 C--O 1.239 0.564 0 C-N-CA 115.757 -2.362 . . . . 25.0 110.087 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.4 159.41 53.49 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 117.844 -0.971 . . . . 25.0 112.339 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.2 160.33 50.3 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 118.324 -0.651 . . . . 25.0 112.373 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.08 177.94 7.56 Favored 'Trans proline' 0 C--N 1.345 0.351 0 O-C-N 121.879 0.41 . . . . 25.0 111.387 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.15 155.24 28.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.117 -0.697 . . . . 25.0 109.117 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -58.36 150.7 21.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.942 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 36.35 0.42 Allowed Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.676 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.7 -176.27 40.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 106.428 -2.669 . . . . 25.0 106.428 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 51.06 62.31 11.66 Favored Pre-proline 0 N--CA 1.478 0.968 0 O-C-N 124.4 0.706 . . . . 25.0 112.204 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.36 146.0 55.29 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 115.594 -2.471 . . . . 25.0 112.0 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.8 -164.18 29.49 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.444 -1.463 . . . . 25.0 109.444 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.5 p -125.75 69.45 1.18 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.25 37.52 22.28 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.584 1.183 . . . . 25.0 111.468 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -72.36 141.75 48.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.16 -0.927 . . . . 25.0 110.48 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.9 p -131.64 27.38 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.341 0.591 . . . . 25.0 110.636 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -93.34 -132.02 0.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -71.03 160.6 32.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.37 135.67 49.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.106 0.479 . . . . 25.0 110.541 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -0.5 22.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.773 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.02 154.38 18.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.416 0.627 . . . . 25.0 111.592 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.8 165.7 15.83 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 110.312 -1.115 . . . . 25.0 110.312 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -158.65 151.2 21.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.23 153.72 90.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.66 -179.39 4.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 O-C-N 122.001 0.474 . . . . 25.0 111.605 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -62.36 164.01 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.697 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.72 93.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.73 142.1 53.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.45 -31.56 0.21 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 116.409 2.003 . . . . 25.0 116.409 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -61.39 -29.88 70.2 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.112 -0.992 . . . . 25.0 111.33 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -71.3 -5.1 29.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.86 -39.05 4.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 25.0 109.973 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.22 -34.88 79.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 110.072 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -123.98 156.47 65.76 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -65.68 152.18 82.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 115.724 -2.384 . . . . 25.0 109.893 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.21 111.4 3.69 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -174.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.55 148.73 20.77 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 114.892 -2.939 . . . . 25.0 111.732 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.42 -11.54 28.55 Favored 'Trans proline' 0 C--N 1.345 0.389 0 N-CA-C 113.469 0.527 . . . . 25.0 113.469 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p -74.82 -48.07 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.053 -0.405 . . . . 25.0 110.651 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -80.18 -9.23 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.076 0.465 . . . . 25.0 110.021 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.87 -19.22 65.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.13 85.37 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.486 0.66 . . . . 25.0 109.552 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -67.58 -35.93 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -68.35 -44.81 74.45 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.21 73.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.529 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -59.41 -41.09 88.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.83 -42.04 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -60.4 -31.04 69.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -77.62 -31.33 52.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.067 0.46 . . . . 25.0 110.582 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -70.77 -24.89 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.79 0.329 . . . . 25.0 111.037 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -60.19 -36.31 77.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.253 0.549 . . . . 25.0 110.523 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.38 -33.33 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.048 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.86 -37.77 88.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.013 0.435 . . . . 25.0 110.301 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.2 -24.32 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 t -68.3 -10.1 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 121.615 -0.678 . . . . 25.0 111.451 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.33 -20.25 18.13 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.186 -0.946 . . . . 25.0 111.521 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -56.02 -23.03 30.46 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -28.59 69.67 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 121.83 -0.544 . . . . 25.0 111.739 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.64 -45.81 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 120.807 0.337 . . . . 25.0 111.347 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.01 -39.63 69.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.632 0.73 . . . . 25.0 111.258 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -77.19 -14.83 59.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.0 mttp 52.6 36.13 19.87 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.021 . . . . 25.0 111.819 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.66 62.67 5.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.563 -0.744 . . . . 25.0 112.605 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -48.41 -50.01 60.1 Favored Pre-proline 0 CA--C 1.548 0.885 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.84 -11.25 15.3 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 114.857 -2.962 . . . . 25.0 115.118 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -91.13 -33.0 15.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.06 -40.97 91.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -53.3 -24.33 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -93.39 -61.15 1.62 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.65 -42.37 96.85 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.69 -35.73 81.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -75.23 -25.16 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 119.096 -0.478 . . . . 25.0 112.048 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.39 -48.18 68.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.788 0.722 . . . . 25.0 109.239 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -63.62 -41.03 98.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.7 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.993 -0.549 . . . . 25.0 111.611 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.0 m -68.7 -38.65 80.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.098 -0.376 . . . . 25.0 110.581 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.74 -44.59 95.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.2 tp -62.04 -40.87 97.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.1 0.476 . . . . 25.0 110.571 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -59.25 -40.62 86.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.207 -0.452 . . . . 25.0 111.297 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -69.22 -44.05 72.86 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.987 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.52 -48.33 82.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -39.07 93.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -66.36 -25.66 66.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.158 -0.617 . . . . 25.0 109.975 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.9 m -75.13 -44.42 47.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.08 -44.9 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.99 -19.03 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 m -77.83 -13.85 59.76 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.53 4.81 22.99 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 166.06 29.21 Favored Pre-proline 0 C--O 1.244 0.775 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.33 138.96 63.19 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 114.241 -3.373 . . . . 25.0 110.122 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -24.05 62.68 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 -167.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.86 -59.48 3.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -64.01 -35.13 79.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.048 0.928 . . . . 25.0 109.596 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -73.47 -13.12 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.081 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -59.87 -26.63 66.02 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 t -56.7 -41.72 77.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.134 0.492 . . . . 25.0 111.179 173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.33 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.013 0.435 . . . . 25.0 109.908 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.79 -31.04 71.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.149 -0.344 . . . . 25.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -66.71 -41.44 87.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.052 -0.405 . . . . 25.0 110.154 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.84 -39.33 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.614 -0.434 . . . . 25.0 110.139 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.8 m -58.93 -43.71 91.23 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 m -70.96 -38.55 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.49 -35.84 82.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.767 0.318 . . . . 25.0 110.56 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.1 -46.45 89.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -72.29 -26.99 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.5 t -67.56 -41.07 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.2 t -64.46 -39.91 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.01 -40.35 88.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 25.0 111.643 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.96 -33.78 72.54 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.57 -0.706 . . . . 25.0 110.341 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.6 -35.99 75.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 25.0 109.84 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.27 -38.92 93.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.937 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.89 93.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.126 -0.359 . . . . 25.0 110.857 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -66.64 -40.92 88.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.14 86.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.322 0.582 . . . . 25.0 110.682 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.66 75.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.142 -0.349 . . . . 25.0 110.891 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -66.03 -32.5 74.02 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.045 -0.409 . . . . 25.0 111.406 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.31 2.58 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.317 0.58 . . . . 25.0 109.619 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 63.12 34.55 13.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.682 1.193 . . . . 25.0 113.0 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 t -102.77 99.33 13.3 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.401 -0.363 . . . . 25.0 110.729 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.66 -23.05 23.36 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 116.279 -2.014 . . . . 25.0 113.211 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -42.85 83.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 25.0 110.387 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -71.48 -36.84 71.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.394 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.99 98.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.496 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -61.13 -41.51 96.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.244 0.545 . . . . 25.0 110.255 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -60.13 -43.52 95.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.341 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -76.7 -27.68 55.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 119.286 -0.387 . . . . 25.0 111.916 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -63.19 -44.33 95.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 118.927 0.785 . . . . 25.0 108.899 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.68 -41.67 97.54 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.316 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.04 -39.4 90.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.564 . . . . 25.0 110.509 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.5 m -67.27 -39.71 86.09 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.732 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.64 -46.49 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.2 m -64.88 -38.91 92.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.899 0.38 . . . . 25.0 111.191 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -35.67 80.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.174 -0.329 . . . . 25.0 110.817 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.608 HG23 ' HB1' ' A' ' 56' ' ' ALA . 45.8 mt -65.1 -43.5 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.27 -43.89 97.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.259 0.552 . . . . 25.0 110.878 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.04 -39.36 92.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.5 -39.45 84.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -68.1 -40.0 82.7 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.91 67.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.909 0.385 . . . . 25.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -89.32 -8.95 52.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 71.8 mt -85.44 -11.37 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 25.0 109.922 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.671 -1.072 . . . . 25.0 111.777 176.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 110.206 -0.294 . . . . 25.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.1 151.88 12.48 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.915 -1.143 . . . . 25.0 107.915 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -159.73 148.63 13.98 Favored Pre-proline 0 C--O 1.243 0.757 0 N-CA-C 105.332 -2.099 . . . . 25.0 105.332 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.5 43.4 0.9 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.236 1.957 . . . . 25.0 117.121 -167.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' VAL . 9.7 tt -123.19 -11.96 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 108.882 -0.784 . . . . 25.0 108.882 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG23 HG23 ' A' ' 5' ' ' ILE . 35.8 t -143.02 -50.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-O 121.107 0.48 . . . . 25.0 110.47 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.58 118.23 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.945 0.402 . . . . 25.0 110.39 -175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 63.54 0.36 Allowed Glycine 0 C--O 1.226 -0.375 0 CA-C-O 119.1 -0.833 . . . . 25.0 113.389 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.45 147.35 70.97 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 116.374 -1.951 . . . . 25.0 112.289 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.52 157.04 45.1 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 117.533 -1.178 . . . . 25.0 112.72 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.21 169.78 21.68 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 118.349 -0.634 . . . . 25.0 110.501 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -69.57 -5.47 16.16 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 117.483 -1.212 . . . . 25.0 113.311 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.0 9.55 27.48 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.005 0.522 . . . . 25.0 110.238 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 m 72.11 157.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.495 1.518 . . . . 25.0 112.605 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.68 -170.42 39.01 Favored Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.019 -2.432 . . . . 25.0 107.019 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.58 179.07 46.13 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 118.091 0.945 . . . . 25.0 110.996 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.32 157.22 78.18 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -72.2 173.37 13.11 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.281 -1.346 . . . . 25.0 111.549 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.6 19.95 5.61 Favored Glycine 0 C--O 1.226 -0.402 0 N-CA-C 115.05 0.78 . . . . 25.0 115.05 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -127.44 137.15 52.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.27 -1.381 . . . . 25.0 107.27 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -75.6 -29.97 59.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.796 0.808 . . . . 25.0 109.807 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -100.89 36.22 2.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.256 -0.884 . . . . 25.0 112.829 -172.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.02 99.99 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.45 0.643 . . . . 25.0 112.438 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.07 -33.28 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.41 158.18 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.77 -1.105 . . . . 25.0 109.197 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 123.96 22.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.129 -0.357 . . . . 25.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 55.84 46.42 22.28 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.965 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.17 -165.55 1.3 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.703 -0.68 . . . . 25.0 109.714 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.01 24.27 13.27 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 -176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -82.79 122.09 27.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.433 -0.451 . . . . 25.0 110.412 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.7 90.8 23.15 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-O 121.126 0.488 . . . . 25.0 110.652 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.7 155.82 49.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.988 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -66.39 -19.93 65.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -151.4 151.12 31.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -157.25 -81.79 0.06 Allowed 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 106.158 -1.793 . . . . 25.0 106.158 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -99.11 7.01 46.26 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.121 0.962 . . . . 25.0 108.719 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -55.46 -40.32 71.45 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.096 -0.956 . . . . 25.0 113.033 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.43 -6.95 44.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.052 1.13 . . . . 25.0 114.052 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -107.22 -37.99 6.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.237 0.541 . . . . 25.0 109.845 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -78.01 -38.09 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 25.0 111.726 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -124.07 153.56 67.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 25.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -71.73 170.12 19.45 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 117.19 -1.406 . . . . 25.0 110.357 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.51 74.44 4.44 Favored Pre-proline 0 CA--C 1.546 0.794 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.26 163.87 35.47 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 N-CA-C 113.235 0.437 . . . . 25.0 113.235 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.36 -18.44 49.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 114.34 0.862 . . . . 25.0 114.34 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -68.51 -45.54 72.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -68.19 -35.52 78.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.1 64.18 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.976 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.12 0.486 . . . . 25.0 110.534 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -81.06 -32.63 33.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.087 -0.383 . . . . 25.0 111.82 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -65.73 -40.35 92.08 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.56 -0.712 . . . . 25.0 109.299 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.97 88.61 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -59.71 -41.16 90.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.207 -0.308 . . . . 25.0 110.743 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -76.19 -34.37 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 121.728 -0.607 . . . . 25.0 110.586 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 m -63.75 -30.23 71.35 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.659 -0.651 . . . . 25.0 110.831 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -75.2 -32.78 61.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 t -70.31 -26.67 63.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.216 -0.303 . . . . 25.0 111.277 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -61.03 -36.35 79.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.077 0.465 . . . . 25.0 109.908 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.19 -35.26 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.136 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.46 -39.22 90.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.458 0.646 . . . . 25.0 109.969 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -68.02 -19.68 64.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.418 0.896 . . . . 25.0 113.418 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.48 -7.9 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 121.739 -0.601 . . . . 25.0 111.269 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -54.1 -24.79 18.89 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.388 -0.82 . . . . 25.0 111.394 174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.05 -16.87 14.37 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -25.56 68.04 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.177 -0.952 . . . . 25.0 110.689 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.98 -45.44 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.868 -0.79 . . . . 25.0 108.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.79 -30.65 70.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.793 0.806 . . . . 25.0 110.67 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -81.14 -17.34 50.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.1 tttm 54.86 29.96 12.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.887 0.851 . . . . 25.0 111.152 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.75 76.3 6.43 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -170.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -50.77 -48.22 83.89 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 115.989 1.848 . . . . 25.0 115.989 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -78.1 -15.21 14.71 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 114.288 -3.341 . . . . 25.0 116.675 -172.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -88.05 -26.16 22.71 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.409 -0.807 . . . . 25.0 111.533 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.48 -40.15 95.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -60.36 -17.76 45.68 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -95.01 -61.32 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 173.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -60.75 -46.12 91.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 tp -69.15 -43.55 74.1 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.826 0.822 . . . . 25.0 109.815 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -75.6 -22.97 56.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.282 -0.872 . . . . 25.0 111.876 -174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.6 mt -68.06 -45.14 74.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.985 -0.447 . . . . 25.0 110.487 172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -66.56 -38.67 87.57 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.21 95.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.032 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -67.13 -40.08 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.925 -0.484 . . . . 25.0 110.609 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.99 -44.69 94.36 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.54 -44.94 95.56 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.112 -0.495 . . . . 25.0 109.744 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -60.17 -34.27 73.36 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.09 -49.92 18.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -72.06 -34.34 68.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.596 0.713 . . . . 25.0 111.575 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.7 tp -69.41 -21.73 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.665 -0.647 . . . . 25.0 110.434 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -66.76 -29.28 69.2 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.009 -0.432 . . . . 25.0 110.012 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.32 -38.43 74.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.358 0.599 . . . . 25.0 109.969 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.12 -42.76 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 pt -65.25 -19.3 25.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -72.19 -31.7 66.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.244 -0.285 . . . . 25.0 110.718 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.21 27.72 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.591 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.38 150.13 93.64 Favored Pre-proline 0 C--O 1.242 0.661 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -64.33 156.2 61.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 116.516 -1.856 . . . . 25.0 109.875 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.84 -25.73 65.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -166.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -76.23 -43.22 43.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.528 0.68 . . . . 25.0 110.959 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -66.72 -31.49 72.18 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.345 -0.847 . . . . 25.0 109.946 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -59.33 -41.91 90.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -65.04 -48.12 74.99 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 t -61.03 -42.36 98.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.16 0.505 . . . . 25.0 110.996 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.15 -41.77 94.44 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.448 -0.783 . . . . 25.0 110.633 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -62.22 -39.71 93.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.19 -36.71 66.59 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.856 -0.738 . . . . 25.0 110.509 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.26 -39.49 89.5 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.402 0.62 . . . . 25.0 110.152 174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 96.9 m -59.48 -42.18 91.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.354 0.597 . . . . 25.0 109.417 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.7 m -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.996 -0.44 . . . . 25.0 111.353 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.4 -40.63 97.73 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.2 -48.47 81.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.081 -0.509 . . . . 25.0 109.922 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -75.21 -18.93 60.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 m -68.78 -39.89 79.96 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.0 p -73.47 -28.6 62.03 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 119.939 -0.705 . . . . 25.0 109.876 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.11 -44.94 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 117.43 0.104 . . . . 25.0 110.75 176.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.96 -36.77 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.039 -0.665 . . . . 25.0 110.389 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.88 -35.53 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.162 -0.336 . . . . 25.0 110.751 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -39.75 82.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.48 0.657 . . . . 25.0 110.408 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -45.61 90.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -66.69 -36.54 82.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.777 -0.369 . . . . 25.0 111.325 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.5 81.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.983 0.42 . . . . 25.0 110.433 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.66 -41.42 65.43 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.038 -0.414 . . . . 25.0 110.669 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -64.96 -33.17 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.689 0.28 . . . . 25.0 110.607 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.4 tp -89.99 15.4 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-O 121.456 0.646 . . . . 25.0 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.0 pttt 48.71 36.41 7.81 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -102.86 95.57 6.59 Favored Pre-proline 0 N--CA 1.469 0.523 0 C-N-CA 122.576 0.35 . . . . 25.0 110.348 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.8 -28.0 20.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.41 -1.927 . . . . 25.0 114.352 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.9 m -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.524 0.678 . . . . 25.0 109.877 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.08 -31.59 61.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.06 97.15 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.07 -36.47 82.09 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.862 -0.524 . . . . 25.0 110.899 175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -45.45 90.87 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -77.64 -25.32 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.02 -0.514 . . . . 25.0 111.79 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.75 -44.38 96.34 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.413 -0.958 . . . . 25.0 108.413 172.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.63 -41.42 98.87 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.584 -0.817 . . . . 25.0 112.602 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -66.28 -38.3 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.207 -0.584 . . . . 25.0 110.461 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 35.2 m -68.22 -37.21 80.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.56 -45.04 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m -64.15 -43.76 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.941 -0.304 . . . . 25.0 111.295 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.64 -40.17 93.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.697 0.284 . . . . 25.0 110.611 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.566 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.4 mt -64.39 -43.78 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.27 -41.56 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -67.42 -38.46 84.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.097 -0.377 . . . . 25.0 111.323 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.05 -38.81 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.42 -33.78 76.75 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.204 0.446 . . . . 25.0 112.204 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.45 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.084 0.468 . . . . 25.0 110.68 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -82.0 -9.97 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.591 -0.277 . . . . 25.0 111.565 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.62 2.55 44.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.433 -0.348 . . . . 25.0 110.925 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.687 0 N-CA-C 109.703 -1.359 . . . . 25.0 109.703 171.562 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 119.113 -0.47 . . . . 25.0 110.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.77 30.48 1.87 Allowed 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 118.408 2.744 . . . . 25.0 118.408 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -145.92 117.35 4.97 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 113.166 0.802 . . . . 25.0 113.166 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 157.5 52.65 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 117.788 -1.008 . . . . 25.0 110.943 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.9 pt -137.11 170.67 17.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.0 -30.92 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 121.246 0.546 . . . . 25.0 112.063 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.41 -22.95 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.778 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 -176.88 30.82 Favored Glycine 0 C--O 1.241 0.574 0 C-N-CA 121.013 -0.613 . . . . 25.0 114.251 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.99 167.56 26.36 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.915 2.41 . . . . 25.0 112.516 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.8 156.26 66.81 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 116.964 -1.558 . . . . 25.0 111.349 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.48 166.33 30.12 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 118.355 -0.63 . . . . 25.0 112.366 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -64.72 159.6 44.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 117.047 -1.502 . . . . 25.0 112.334 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt 66.6 9.3 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.528 1.131 . . . . 25.0 112.9 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 m -112.53 -1.07 15.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.88 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.55 -178.09 15.59 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 115.568 0.987 . . . . 25.0 115.568 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 154.49 29.39 Favored Glycine 0 C--O 1.221 -0.693 0 CA-C-N 114.692 -0.754 . . . . 25.0 112.394 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt 70.29 140.7 0.07 OUTLIER Pre-proline 0 N--CA 1.483 1.184 0 C-N-CA 125.742 1.617 . . . . 25.0 113.293 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.44 160.45 32.11 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 117.798 -1.002 . . . . 25.0 114.269 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.04 -38.93 2.61 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.671 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 t -137.11 140.4 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 104.085 -2.561 . . . . 25.0 104.085 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 47.95 -10.9 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 120.08 3.363 . . . . 25.0 120.08 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -143.01 167.52 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.846 0.748 . . . . 25.0 111.597 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -142.94 34.7 1.38 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.661 -0.7 . . . . 25.0 109.851 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -78.36 -177.43 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.107 -0.497 . . . . 25.0 112.05 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.76 40.25 3.39 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.967 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.97 75.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.797 0.332 . . . . 25.0 110.982 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 41.71 48.35 3.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.28 -30.56 70.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.846 -1.07 . . . . 25.0 113.557 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.48 -19.47 68.84 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.17 0.828 . . . . 25.0 115.17 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -136.47 48.85 2.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.548 1.174 . . . . 25.0 111.833 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.97 146.72 95.29 Favored Pre-proline 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.738 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.53 140.88 37.12 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.728 -1.048 . . . . 25.0 114.561 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.23 69.01 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p 45.16 45.07 9.16 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.663 1.221 . . . . 25.0 110.355 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.0 141.52 45.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.237 -1.347 . . . . 25.0 109.951 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 69.28 -23.33 0.15 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -62.66 -25.44 68.13 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.602 -0.686 . . . . 25.0 110.619 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -87.32 -22.7 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.089 0.471 . . . . 25.0 110.674 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.78 -41.88 10.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.538 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -124.65 148.69 59.84 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 25.0 111.208 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.06 138.79 44.83 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 115.338 -2.641 . . . . 25.0 109.596 170.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -79.71 131.72 63.41 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 113.491 0.922 . . . . 25.0 113.491 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -75.46 167.11 27.3 Favored 'Trans proline' 0 C--O 1.244 0.782 0 N-CA-C 109.269 -1.089 . . . . 25.0 109.269 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -65.39 -13.76 41.44 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 116.245 -2.037 . . . . 25.0 113.443 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -33.26 75.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -86.63 -25.59 24.81 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.12 69.2 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.42 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -65.36 -41.02 94.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.491 . . . . 25.0 109.685 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.18 -43.63 97.66 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.629 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.25 76.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.66 0.245 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.22 -45.33 95.0 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.234 0.47 . . . . 25.0 110.024 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.35 -43.13 81.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 121.138 -0.225 . . . . 25.0 110.902 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.8 m -62.71 -31.74 72.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -74.59 -36.12 63.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 25.0 110.209 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.5 m -70.98 -26.52 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.185 -0.462 . . . . 25.0 111.31 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.07 -34.65 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.426 . . . . 25.0 110.609 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -66.75 -28.41 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 120.708 0.29 . . . . 25.0 110.408 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.28 -27.0 68.32 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.026 -1.047 . . . . 25.0 110.533 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -73.7 -15.21 61.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -12.72 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -55.28 -32.62 62.54 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 122.269 -0.269 . . . . 25.0 110.822 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.71 -29.84 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -74.33 -25.31 59.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.417 -0.802 . . . . 25.0 111.367 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.09 -44.99 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.02 -36.21 82.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.63 0.729 . . . . 25.0 110.802 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -73.25 -7.55 52.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.059 -0.519 . . . . 25.0 111.69 175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 54.13 36.65 25.33 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.214 1.006 . . . . 25.0 110.771 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 65.2 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.881 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -44.83 -47.52 29.24 Favored Pre-proline 0 CA--C 1.549 0.924 0 N-CA-C 116.142 1.904 . . . . 25.0 116.142 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.7 -25.15 12.81 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 114.494 -3.204 . . . . 25.0 114.719 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 m -86.15 -34.45 20.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.99 -45.05 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.578 0.351 . . . . 25.0 110.822 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -66.79 -17.7 65.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -95.01 -47.04 6.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.67 -0.241 . . . . 25.0 110.508 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.34 -36.71 83.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.98 0.419 . . . . 25.0 111.299 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.21 -45.35 87.8 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.251 0.548 . . . . 25.0 110.464 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -76.14 -30.52 58.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.528 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.19 -53.39 45.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.251 0.478 . . . . 25.0 109.849 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -65.18 -36.45 84.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 25.0 111.395 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.33 89.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.299 -0.56 . . . . 25.0 110.482 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -62.0 -33.82 75.04 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.735 -0.603 . . . . 25.0 110.837 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -50.38 73.81 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.165 0.507 . . . . 25.0 110.278 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.91 -40.17 92.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.83 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -62.81 -38.2 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 118.868 -0.587 . . . . 25.0 111.412 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -69.04 -45.79 69.54 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 118.699 0.681 . . . . 25.0 111.248 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -63.71 -49.83 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 25.0 110.507 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.5 -25.73 66.0 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -67.32 -25.84 66.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.857 -0.527 . . . . 25.0 110.392 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -81.66 -42.36 20.08 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.48 -42.12 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.5 pt -62.64 -10.77 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.703 1.371 . . . . 25.0 114.703 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.4 p -81.83 -13.17 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.035 -0.416 . . . . 25.0 111.98 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.11 91.52 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.627 0.727 . . . . 25.0 110.691 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.69 77.44 69.19 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.64 32.25 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.575 0 N-CA-C 115.606 1.349 . . . . 25.0 115.606 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -118.32 -111.28 0.34 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.08 -58.93 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -172.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.68 -16.3 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.825 -0.547 . . . . 25.0 112.401 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -58.05 -41.68 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -73.55 -42.22 61.96 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.01 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -59.14 -46.31 88.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.748 0.309 . . . . 25.0 111.205 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.02 -36.64 84.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.613 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.65 -33.01 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.842 -0.536 . . . . 25.0 111.181 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.98 -43.28 79.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.146 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.24 -37.54 87.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.463 -0.495 . . . . 25.0 110.003 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.2 m -56.62 -44.6 81.35 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.3 p -74.89 -35.01 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -67.0 -41.27 87.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.901 0.382 . . . . 25.0 110.979 -176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.15 -43.49 87.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.893 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.28 -22.69 61.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -65.3 -41.32 94.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -70.34 -29.14 65.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 25.0 111.84 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.31 -43.49 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.03 -34.53 78.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.005 0.431 . . . . 25.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.16 -40.25 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.798 -0.564 . . . . 25.0 110.287 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.99 -38.67 86.46 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -42.21 98.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.131 -0.486 . . . . 25.0 110.788 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -67.15 -38.56 85.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.03 -0.668 . . . . 25.0 110.991 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.077 0.465 . . . . 25.0 110.521 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.016 0.436 . . . . 25.0 110.201 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -68.42 -33.37 74.09 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.587 -0.445 . . . . 25.0 111.205 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.5 tp -81.7 -0.48 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-O 121.256 0.55 . . . . 25.0 110.018 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 64.18 32.04 12.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.655 1.182 . . . . 25.0 114.136 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -102.32 104.91 40.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.374 -0.232 . . . . 25.0 110.374 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.82 -28.17 20.52 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 116.264 -2.024 . . . . 25.0 112.672 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -43.15 95.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.356 0.598 . . . . 25.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -71.61 -35.03 70.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.023 -0.535 . . . . 25.0 109.899 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.03 98.57 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -70.64 -33.4 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.003 -0.436 . . . . 25.0 111.761 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -62.75 -45.1 94.28 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.683 -0.407 . . . . 25.0 109.903 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -76.27 -27.49 56.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.223 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.7 -44.79 96.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.21 -36.14 91.94 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.078 -0.582 . . . . 25.0 113.11 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -69.94 -36.82 75.6 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.23 -0.571 . . . . 25.0 109.743 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.5 m -66.81 -39.68 87.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.235 -0.439 . . . . 25.0 109.821 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.33 -40.79 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -64.1 -44.74 91.35 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.914 -0.491 . . . . 25.0 110.559 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -63.49 -38.23 90.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.754 0.312 . . . . 25.0 110.98 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 56' ' ' ALA . 50.3 mt -62.73 -43.73 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -62.22 -42.05 98.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.663 0.268 . . . . 25.0 111.252 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.896 -0.503 . . . . 25.0 112.208 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.55 -38.66 82.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.78 -35.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.987 -0.446 . . . . 25.0 111.337 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.67 76.1 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.298 0.374 . . . . 25.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -73.89 -16.27 61.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.947 -0.471 . . . . 25.0 111.339 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.5 mt -97.22 2.77 51.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.488 0.315 . . . . 25.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.725 0 CA-C-O 118.229 -1.317 . . . . 25.0 111.225 -177.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.349 0.129 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.28 150.76 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 154.71 84.97 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.271 -1.381 . . . . 25.0 107.271 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -74.45 37.14 0.44 Allowed 'Trans proline' 0 C--N 1.353 0.811 0 N-CA-C 117.08 1.916 . . . . 25.0 117.08 -172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -17.37 6.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 172.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.482 HG22 ' H ' ' A' ' 8' ' ' GLY . 11.2 p -70.73 139.87 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 115.672 -0.694 . . . . 25.0 110.018 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.16 -18.25 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.255 0.55 . . . . 25.0 111.564 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -105.76 99.49 1.55 Allowed Glycine 0 CA--C 1.519 0.283 0 N-CA-C 109.619 -1.392 . . . . 25.0 109.619 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.65 161.24 46.68 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 CA-C-N 119.783 1.792 . . . . 25.0 113.1 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.43 158.47 56.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.993 -0.871 . . . . 25.0 112.022 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.7 158.72 56.04 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 117.772 -1.019 . . . . 25.0 112.619 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.14 165.95 26.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 118.526 -0.516 . . . . 25.0 111.527 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.82 -24.01 0.2 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.167 1.387 . . . . 25.0 112.349 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -76.07 147.93 38.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.84 179.55 25.26 Favored Glycine 0 CA--C 1.516 0.151 0 C-N-CA 121.53 -0.367 . . . . 25.0 112.769 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.5 143.89 16.21 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 109.11 -1.596 . . . . 25.0 109.11 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.63 55.52 3.74 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -72.8 154.84 53.98 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 115.458 -2.561 . . . . 25.0 111.212 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.82 -68.79 0.01 OUTLIER Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.828 -0.701 . . . . 25.0 112.831 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.8 p -120.7 160.15 23.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 52.31 31.35 9.27 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 122.332 1.063 . . . . 25.0 112.83 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.98 -30.7 70.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.582 -0.735 . . . . 25.0 111.471 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m 49.56 48.62 21.17 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.958 0.786 . . . . 25.0 111.671 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -138.7 176.07 9.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.526 0.679 . . . . 25.0 112.573 -175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.03 163.13 33.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 103.954 -2.61 . . . . 25.0 103.954 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.51 43.73 29.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.589 0.709 . . . . 25.0 111.463 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -69.34 142.1 54.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.56 -0.745 . . . . 25.0 110.378 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t0 72.37 160.97 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.205 1.402 . . . . 25.0 113.362 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.3 59.83 4.87 Favored Glycine 0 C--O 1.229 -0.211 0 CA-C-N 116.044 -0.526 . . . . 25.0 113.556 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -135.15 147.41 49.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.227 0.537 . . . . 25.0 111.076 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.39 91.02 46.1 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.79 84.08 1.98 Allowed 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 114.026 0.741 . . . . 25.0 114.026 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -132.59 -77.1 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 25.0 110.23 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.5 m -133.95 113.82 12.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -162.33 -68.19 0.05 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.769 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -125.97 -16.74 5.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -52.14 -44.54 64.61 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -78.52 -8.77 58.92 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -96.46 -29.33 13.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -82.19 -46.02 14.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 25.0 111.878 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -127.76 158.53 70.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -69.33 166.29 27.57 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 116.858 -1.628 . . . . 25.0 110.987 168.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.06 84.14 5.5 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.11 167.06 22.88 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 111.059 -0.4 . . . . 25.0 111.059 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -61.64 -13.72 31.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 114.631 0.973 . . . . 25.0 114.631 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -37.47 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.859 -0.526 . . . . 25.0 111.115 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.79 -30.92 66.06 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.03 -0.73 . . . . 25.0 109.03 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -27.34 67.64 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 116.329 -0.396 . . . . 25.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.42 76.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.97 -44.01 94.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.893 -0.781 . . . . 25.0 108.893 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -62.64 -40.97 98.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.779 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.98 82.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.768 -0.197 . . . . 25.0 111.138 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -63.7 -38.6 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.515 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.47 -46.42 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 m -62.03 -30.22 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -73.69 -37.57 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.112 0.482 . . . . 25.0 110.045 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 m -71.21 -25.74 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.933 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -59.47 -35.53 74.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.391 0.615 . . . . 25.0 110.786 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.11 -27.7 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.459 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.87 -27.5 69.21 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.445 -0.785 . . . . 25.0 111.75 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.19 -15.47 61.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -13.22 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.779 1.029 . . . . 25.0 113.779 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -26.89 62.37 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.934 -0.479 . . . . 25.0 111.411 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -57.7 -36.12 71.55 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -72.08 -24.37 61.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.572 -0.705 . . . . 25.0 112.484 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.4 mt -69.7 -46.62 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.08 -41.79 99.49 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.621 0.724 . . . . 25.0 110.889 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -73.41 2.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.8 tttt 59.23 27.23 16.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.735 0.779 . . . . 25.0 111.622 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.92 65.6 3.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.683 -170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -43.23 -52.1 13.04 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 115.771 1.767 . . . . 25.0 115.771 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -75.01 -25.06 12.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 113.996 -3.536 . . . . 25.0 115.073 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -78.79 -33.88 45.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.88 -0.512 . . . . 25.0 110.308 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.69 -51.66 68.43 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.708 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -67.04 -21.38 65.92 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.19 -0.604 . . . . 25.0 112.378 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -78.11 -56.95 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.424 . . . . 25.0 109.906 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.67 -36.14 82.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.444 0.64 . . . . 25.0 111.345 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.11 -46.54 89.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.028 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -73.51 -34.44 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.937 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.91 -51.03 66.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.92 -0.312 . . . . 25.0 111.118 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -65.93 -37.65 86.61 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.685 0.278 . . . . 25.0 110.745 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.19 72.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.055 -0.403 . . . . 25.0 111.477 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -65.8 -34.54 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.724 -0.61 . . . . 25.0 111.66 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -61.7 -42.49 99.01 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.217 0.532 . . . . 25.0 110.144 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -60.59 -33.37 72.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.99 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.29 -42.59 25.45 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.178 -0.209 . . . . 25.0 111.516 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.89 -47.56 80.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.669 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -26.52 68.76 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -63.57 -31.49 72.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.1 m -80.88 -42.44 21.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.718 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.6 t -58.02 -42.94 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 pt -62.93 -15.38 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.928 1.084 . . . . 25.0 113.928 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -78.21 -14.3 59.51 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.325 -0.235 . . . . 25.0 111.545 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.59 66.38 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.589 0.709 . . . . 25.0 109.453 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -132.0 71.63 79.99 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.317 -0.856 . . . . 25.0 109.209 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -78.54 34.71 0.51 Allowed 'Trans proline' 0 CA--C 1.541 0.875 0 N-CA-C 115.771 1.412 . . . . 25.0 115.771 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.0 -128.44 0.28 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 119.296 -0.383 . . . . 25.0 110.532 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -40.01 93.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.808 0.731 . . . . 25.0 111.435 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.72 -29.93 67.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.93 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -58.48 -45.02 89.52 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.956 -0.387 . . . . 25.0 109.956 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -41.33 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.615 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.8 t -57.43 -47.74 80.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 123.499 0.499 . . . . 25.0 110.646 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.65 -43.02 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.953 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -61.31 -36.58 80.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -69.58 -40.14 76.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.614 -0.835 . . . . 25.0 111.681 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.3 mt -66.26 -39.65 89.63 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.28 -0.568 . . . . 25.0 109.84 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 m -58.27 -45.74 87.3 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.769 -0.65 . . . . 25.0 109.487 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -73.53 -35.83 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -61.76 -34.5 75.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.679 0.276 . . . . 25.0 110.936 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.6 -40.53 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.669 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.27 -16.4 61.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.923 1.083 . . . . 25.0 113.923 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -67.36 -42.7 83.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -33.41 74.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.956 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.4 mm -62.24 -48.38 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 109.77 -0.455 . . . . 25.0 109.77 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -35.32 75.71 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.54 -0.464 . . . . 25.0 111.505 -176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.25 -38.38 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.002 -0.436 . . . . 25.0 110.974 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.02 -40.66 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -43.39 94.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 25.0 111.194 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -67.2 -40.85 86.52 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.605 -0.685 . . . . 25.0 111.436 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.8 79.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.502 0.668 . . . . 25.0 110.379 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.46 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.12 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.83 -33.91 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.375 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 tp -86.05 15.03 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-O 121.394 0.616 . . . . 25.0 110.325 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt 47.65 41.12 13.13 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.9 m -103.03 92.44 3.67 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.61 -36.55 19.11 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 116.169 -2.087 . . . . 25.0 115.561 -174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -67.78 -29.34 68.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.796 0.808 . . . . 25.0 110.728 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.15 -37.55 61.3 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.39 93.91 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.08 -35.38 80.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.039 -0.413 . . . . 25.0 111.263 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -64.06 -48.08 77.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -69.91 -29.22 66.34 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.757 -0.377 . . . . 25.0 111.044 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.04 -43.54 98.38 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.83 -38.06 95.36 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.225 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -66.75 -36.63 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.066 -0.667 . . . . 25.0 109.823 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 m -66.12 -42.7 88.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.04 -43.99 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -62.96 -40.84 98.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.752 0.31 . . . . 25.0 110.957 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.943 -0.473 . . . . 25.0 110.517 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 56' ' ' ALA . 52.9 mt -64.04 -44.03 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -57.43 -44.13 84.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.81 0.338 . . . . 25.0 111.241 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -66.08 -39.52 90.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.383 0.512 . . . . 25.0 112.383 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.58 -38.37 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.57 -44.56 86.31 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.261 -0.274 . . . . 25.0 110.752 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.12 -27.46 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 25.0 111.076 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -81.69 -18.09 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.2 mt -92.05 -30.22 16.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.318 -1.268 . . . . 25.0 111.696 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.499 1.975 0 CA-C-O 119.492 -0.29 . . . . 25.0 111.645 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.15 79.98 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.805 1.039 . . . . 25.0 113.805 -174.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 68.64 146.35 0.11 Allowed Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 125.368 1.467 . . . . 25.0 112.273 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.62 54.4 5.17 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 120.92 1.08 . . . . 25.0 113.162 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -136.25 138.63 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.377 0.608 . . . . 25.0 110.744 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -127.65 121.81 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -149.0 -47.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 111.865 0.32 . . . . 25.0 111.865 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.36 -85.62 0.4 Allowed Glycine 0 CA--C 1.519 0.321 0 CA-C-O 118.987 -0.896 . . . . 25.0 110.955 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.08 160.33 49.53 Favored 'Trans proline' 0 C--N 1.348 0.54 0 CA-C-N 119.763 1.782 . . . . 25.0 111.517 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.12 152.64 72.59 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 116.901 -1.6 . . . . 25.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.04 145.55 67.81 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 117.536 -1.176 . . . . 25.0 111.79 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.16 -14.81 28.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 N-CA-C 114.951 1.097 . . . . 25.0 114.951 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.7 pt? -109.59 14.29 23.5 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.504 0.322 . . . . 25.0 110.678 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t 59.31 -155.02 0.36 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.74 142.77 4.73 Favored Glycine 0 C--O 1.235 0.157 0 C-N-CA 120.549 -0.834 . . . . 25.0 113.664 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.78 -159.9 35.36 Favored Glycine 0 CA--C 1.516 0.146 0 N-CA-C 110.873 -0.891 . . . . 25.0 110.873 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.59 141.71 97.92 Favored Pre-proline 0 CA--C 1.538 0.518 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.89 136.82 19.09 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 117.464 -1.224 . . . . 25.0 111.705 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.59 31.24 41.51 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.788 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -63.1 -15.43 56.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.217 0.821 . . . . 25.0 113.217 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -70.94 -14.62 62.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.001 -0.437 . . . . 25.0 110.71 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -97.04 13.38 29.25 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 m 56.73 -99.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.926 0.891 . . . . 25.0 113.339 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -84.63 -23.85 29.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.11 72.28 9.16 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 122.118 0.961 . . . . 25.0 111.372 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.34 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.239 -0.892 . . . . 25.0 110.265 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -91.33 18.97 6.42 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.06 144.06 26.41 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.86 -163.11 50.83 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.954 -0.641 . . . . 25.0 112.584 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m 63.53 109.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.59 85.86 7.83 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.633 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.18 152.23 44.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 116.696 -1.736 . . . . 25.0 112.313 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -68.74 -21.61 64.37 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 122.163 -0.336 . . . . 25.0 111.097 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.11 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.296 -1.372 . . . . 25.0 107.296 172.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp 44.62 -100.51 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.104 1.15 . . . . 25.0 114.104 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.76 -23.86 66.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 25.0 112.379 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -61.4 -24.23 66.36 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.34 -28.76 70.22 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.15 -19.3 23.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.096 0.474 . . . . 25.0 110.734 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -92.78 -46.02 7.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.577 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -123.89 150.39 62.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 122.161 0.184 . . . . 25.0 110.761 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.09 141.75 58.84 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 114.612 -3.125 . . . . 25.0 109.368 168.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -73.6 123.32 89.29 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.14 166.92 28.41 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 117.848 0.267 . . . . 25.0 111.723 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -64.8 -16.19 54.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 N-CA-C 114.205 0.809 . . . . 25.0 114.205 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -72.79 -42.13 64.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.071 -0.393 . . . . 25.0 110.791 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -78.44 -15.01 59.1 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.852 -0.53 . . . . 25.0 110.775 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -19.23 65.84 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.98 -34.82 73.86 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.699 -0.626 . . . . 25.0 109.588 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.45 -34.49 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.57 -43.27 81.01 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 120.601 -0.44 . . . . 25.0 110.379 174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.12 78.04 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.54 -41.91 86.6 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.705 0.288 . . . . 25.0 111.326 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.66 -42.45 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.565 0.222 . . . . 25.0 110.923 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -62.57 -32.8 73.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.327 0.584 . . . . 25.0 110.721 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.94 -34.96 74.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.827 176.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.2 t -66.97 -28.41 68.25 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.094 -0.379 . . . . 25.0 111.643 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.48 -30.65 71.03 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.244 0.545 . . . . 25.0 111.726 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.35 -30.3 49.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.83 -22.07 66.01 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.692 -0.63 . . . . 25.0 111.043 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -73.51 -0.18 14.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.308 0.575 . . . . 25.0 112.315 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.6 -16.29 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.613 -0.679 . . . . 25.0 112.65 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -59.62 -27.12 66.04 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.295 -0.878 . . . . 25.0 110.897 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.13 -31.15 71.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.151 -0.343 . . . . 25.0 111.897 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.93 74.68 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.609 -0.682 . . . . 25.0 109.37 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.63 -32.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.51 -36.68 44.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.014 -0.674 . . . . 25.0 111.628 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.68 -29.3 70.29 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.992 -0.443 . . . . 25.0 111.891 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mttp 57.39 32.41 21.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.917 0.887 . . . . 25.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.64 65.84 8.68 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.57 -0.741 . . . . 25.0 110.089 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -46.48 -53.96 21.25 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 117.278 2.325 . . . . 25.0 117.278 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.85 -18.91 11.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 113.879 -3.614 . . . . 25.0 114.742 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 -20.08 60.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 119' ' ' ASP . 33.1 tp -60.05 -35.43 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -57.57 -25.18 59.6 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.519 0.563 . . . . 25.0 112.519 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -94.94 -51.34 4.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.817 0.342 . . . . 25.0 110.229 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.08 -48.04 79.56 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.5 tp -76.55 -37.38 56.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.426 0.631 . . . . 25.0 111.699 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -78.66 -16.28 57.5 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.127 -0.629 . . . . 25.0 112.586 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.72 -41.46 92.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -67.43 -37.67 83.38 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.202 0.525 . . . . 25.0 109.629 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.94 96.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.669 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.5 p -70.86 -36.01 72.65 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.04 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -62.21 -45.09 94.91 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.355 0.525 . . . . 25.0 110.118 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -61.7 -39.37 91.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.213 -0.449 . . . . 25.0 111.584 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.72 -46.46 78.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 118.517 0.599 . . . . 25.0 111.371 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -63.82 -51.39 64.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.07 -33.47 75.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.98 -30.04 67.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.063 0.458 . . . . 25.0 110.282 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.0 m -83.24 -42.27 17.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.461 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.35 -40.65 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.2 pt -63.96 -10.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.4 m -90.44 -8.38 50.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.04 -13.42 59.88 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -131.46 164.62 41.33 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.109 -1.811 . . . . 25.0 106.109 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.58 144.18 97.49 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 115.893 -2.271 . . . . 25.0 111.735 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.48 -27.5 67.07 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -169.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.1 -56.15 16.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.09 -29.68 67.53 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.474 1.131 . . . . 25.0 110.067 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -77.78 -12.89 60.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.1 -0.954 . . . . 25.0 113.377 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -54.75 -35.95 64.3 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -59.19 -37.21 76.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.204 0.526 . . . . 25.0 111.597 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.18 -39.68 54.23 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.746 -0.596 . . . . 25.0 109.79 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -60.59 -35.67 76.67 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.797 0.332 . . . . 25.0 110.305 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.62 -49.43 73.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.511 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.06 -38.72 92.11 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.679 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.8 m -56.82 -44.31 81.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.6 m -71.3 -40.87 70.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.51 -0.314 . . . . 25.0 111.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.89 -33.39 75.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.626 0.25 . . . . 25.0 110.849 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.451 HD11 HD13 ' A' ' 141' ' ' ILE . 7.8 tt -62.24 -40.23 95.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.957 0.408 . . . . 25.0 110.399 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -68.59 -30.7 69.51 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.648 -0.421 . . . . 25.0 110.926 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -66.42 -36.33 82.55 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.694 -0.403 . . . . 25.0 110.695 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 m -69.39 -30.63 68.65 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.896 -0.502 . . . . 25.0 110.065 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.11 -41.05 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.238 -0.437 . . . . 25.0 109.837 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -67.3 -33.18 74.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -66.12 -33.81 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.865 -0.522 . . . . 25.0 110.309 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -36.15 81.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.384 -0.598 . . . . 25.0 109.384 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 74' ' ' LEU . 30.6 t70 -68.42 -38.51 81.3 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 175.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -66.44 -39.83 89.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.974 -0.69 . . . . 25.0 109.686 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.62 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.175 0.512 . . . . 25.0 110.371 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.2 57.67 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.93 -28.52 66.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.8 tp -79.26 -0.86 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 109.16 -0.682 . . . . 25.0 109.16 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt 66.77 34.27 5.7 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.564 1.145 . . . . 25.0 112.444 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t -109.71 89.03 7.13 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.989 -0.55 . . . . 25.0 110.141 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.86 -24.97 45.86 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 116.124 -2.117 . . . . 25.0 113.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -26.82 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.945 0.402 . . . . 25.0 111.155 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.52 -32.49 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.785 -0.572 . . . . 25.0 109.678 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.51 83.32 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.54 -33.03 74.22 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -45.53 78.2 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.75 -0.594 . . . . 25.0 109.445 175.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -71.8 -25.89 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.428 -0.17 . . . . 25.0 110.8 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -64.41 -46.47 83.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.14 -38.76 96.13 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.135 -1.031 . . . . 25.0 111.866 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.83 -41.7 87.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.264 -0.551 . . . . 25.0 111.636 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.1 p -69.71 -36.68 76.13 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 119.12 -0.466 . . . . 25.0 110.572 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.43 -44.59 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.9 t -64.65 -41.73 95.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.015 0.436 . . . . 25.0 111.092 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.77 -37.52 86.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.207 -0.308 . . . . 25.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.519 HG23 ' HB1' ' A' ' 56' ' ' ALA . 15.4 mm -62.38 -43.7 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.474 -0.936 . . . . 25.0 108.474 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -61.02 -42.96 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 25.0 111.627 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.97 -41.37 95.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.07 0.462 . . . . 25.0 111.766 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.69 -37.38 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.55 -36.46 82.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.94 0.4 . . . . 25.0 110.636 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -81.72 -10.37 59.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.9 mt -79.37 -11.89 59.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.228 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.798 175.44 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 119.431 -0.318 . . . . 25.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -23.64 18.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.276 0.56 . . . . 25.0 111.218 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.28 153.11 96.23 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.84 97.25 0.8 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 118.186 -0.743 . . . . 25.0 113.321 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.8 tt -157.43 144.07 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.209 -1.774 . . . . 25.0 106.209 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.44 134.06 40.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.8 t -134.9 -48.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.0 -64.09 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.08 -0.581 . . . . 25.0 114.245 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.83 163.24 35.99 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 116.743 -1.705 . . . . 25.0 111.033 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -69.39 157.11 62.3 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 115.976 -2.216 . . . . 25.0 110.644 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.48 157.29 61.47 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.835 -1.643 . . . . 25.0 111.536 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.47 -2.05 11.57 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 113.109 0.388 . . . . 25.0 113.109 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp 69.65 -31.01 0.2 Allowed 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 p -68.75 -21.43 64.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.34 -159.71 22.45 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 109.654 -1.378 . . . . 25.0 109.654 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.78 155.38 26.37 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 107.78 -2.128 . . . . 25.0 107.78 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -156.91 156.88 30.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.21 160.63 48.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 116.561 -1.826 . . . . 25.0 112.114 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.65 20.97 57.32 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.975 -0.631 . . . . 25.0 112.548 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -131.89 165.26 24.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 54.59 -144.48 0.67 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.663 0.785 . . . . 25.0 112.365 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.06 158.48 18.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 m -56.76 132.41 52.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 25.0 111.337 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -116.38 -171.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.815 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -74.07 6.48 3.41 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.637 1.347 . . . . 25.0 114.637 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.78 62.75 2.53 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.761 1.023 . . . . 25.0 113.761 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.3 -48.19 82.49 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.86 -173.83 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.53 159.65 33.03 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 48.1 p -108.22 61.86 0.61 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 122.003 -0.704 . . . . 25.0 111.939 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -119.74 83.81 29.69 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.23 159.19 50.29 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.88 -0.947 . . . . 25.0 112.414 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -65.31 -27.13 68.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.6 p -137.81 146.48 43.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 25.0 112.226 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.33 -115.9 0.08 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.55 -2.759 . . . . 25.0 103.55 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -3.8 9.88 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.019 0.927 . . . . 25.0 111.287 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -53.09 -25.96 14.68 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 124.106 0.963 . . . . 25.0 112.847 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -63.75 -22.79 67.08 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -113.05 -35.6 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.363 . . . . 25.0 111.396 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.16 -33.92 75.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.804 0.335 . . . . 25.0 111.22 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -123.86 154.07 67.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -70.99 176.12 8.15 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 116.892 -1.605 . . . . 25.0 111.098 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.63 71.42 1.75 Allowed Pre-proline 0 CA--C 1.542 0.647 0 CA-C-O 121.182 0.515 . . . . 25.0 110.236 176.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.4 159.53 43.2 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 116.129 -2.114 . . . . 25.0 111.099 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -66.91 -16.54 50.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 117.997 -0.868 . . . . 25.0 114.156 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 p -69.77 -46.16 66.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 25.0 110.264 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -76.87 -22.64 53.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.003 -0.436 . . . . 25.0 110.595 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.49 70.11 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.44 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.856 -0.527 . . . . 25.0 110.674 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -65.58 -40.76 93.12 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.285 0.564 . . . . 25.0 109.947 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -73.71 -33.56 64.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.125 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.84 -27.83 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -57.37 -41.96 81.15 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.7 t -75.37 -42.22 43.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.618 -0.719 . . . . 25.0 110.057 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -60.38 -29.25 68.81 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.207 0.527 . . . . 25.0 111.881 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -79.36 -33.01 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.228 0.537 . . . . 25.0 110.73 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -71.98 -18.85 61.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.199 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.02 -36.24 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.519 0.676 . . . . 25.0 109.975 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -30.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 25.0 109.612 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.54 -34.71 78.88 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.315 -0.865 . . . . 25.0 109.794 177.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -72.22 -12.17 61.05 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -8.31 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.538 -0.727 . . . . 25.0 112.49 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -56.07 -28.1 56.2 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.95 -0.469 . . . . 25.0 111.353 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -58.25 -34.79 70.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.956 0.408 . . . . 25.0 111.989 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -71.7 -26.4 62.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.786 -0.571 . . . . 25.0 111.381 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mm -69.07 -44.35 81.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.925 -1.139 . . . . 25.0 107.925 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -66.32 -37.81 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 25.0 109.859 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -23.18 65.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.985 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 56.02 33.78 22.48 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.336 1.065 . . . . 25.0 110.203 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.35 70.3 9.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.959 -1.019 . . . . 25.0 110.528 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -39.59 -52.87 4.59 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 115.932 1.827 . . . . 25.0 115.932 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.95 -23.59 10.56 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 114.224 -3.384 . . . . 25.0 115.55 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.4 t -77.96 -36.75 48.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.89 -42.31 98.92 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.502 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -40.21 61.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.345 0.593 . . . . 25.0 111.794 174.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -77.31 -54.05 6.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.055 -0.521 . . . . 25.0 110.731 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.23 -43.19 92.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.136 -0.483 . . . . 25.0 112.02 -174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.33 -42.4 95.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.0 0.429 . . . . 25.0 111.555 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -72.67 -28.0 62.44 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.328 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.41 -46.83 63.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.115 -0.366 . . . . 25.0 111.323 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -61.32 -41.36 96.89 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.2 94.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.744 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.2 m -62.35 -41.13 98.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.851 -0.53 . . . . 25.0 111.191 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.062 0.458 . . . . 25.0 110.156 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.11 -38.71 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 25.0 110.568 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -63.82 -36.85 85.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 119.183 -0.437 . . . . 25.0 111.12 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -64.14 -46.02 85.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.0 -49.57 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 25.0 109.624 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.08 -39.0 93.43 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -61.59 -32.72 72.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.929 -0.767 . . . . 25.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -78.55 -43.34 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.933 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.36 -43.17 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.614 -0.679 . . . . 25.0 111.464 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.94 -19.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.73 -0.606 . . . . 25.0 112.547 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -70.99 -22.95 62.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.565 -0.288 . . . . 25.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.27 8.45 7.4 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.05 164.45 43.89 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -63.65 135.44 48.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 114.623 -3.118 . . . . 25.0 109.319 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -27.25 65.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 25.0 112.224 -169.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.52 -45.48 75.64 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -71.34 -41.01 70.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.466 1.127 . . . . 25.0 109.617 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -70.4 -12.61 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -48.56 -38.83 21.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.746 0.818 . . . . 25.0 109.848 170.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -54.03 -35.91 62.45 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt -80.65 -38.92 28.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.32 -29.19 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.01 -31.97 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.792 -0.763 . . . . 25.0 110.962 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.7 -36.06 67.76 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 m -59.79 -38.71 82.66 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 107.718 -1.215 . . . . 25.0 107.718 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.2 t -70.27 -44.45 68.38 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.991 -0.443 . . . . 25.0 111.559 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.0 -41.52 83.23 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 122.188 -0.32 . . . . 25.0 111.208 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.23 -44.05 95.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.23 -21.12 59.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -68.84 -41.22 78.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 m -66.81 -32.2 73.33 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 122.328 -0.232 . . . . 25.0 110.701 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.19 -46.34 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 25.0 111.276 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.962 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.89 -47.23 84.22 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.07 -35.39 80.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 120.957 -1.089 . . . . 25.0 112.702 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.01 82.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.578 0.704 . . . . 25.0 110.052 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.72 -41.75 71.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.224 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -63.38 -35.06 79.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.783 -0.573 . . . . 25.0 110.455 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -84.95 1.62 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.111 -0.495 . . . . 25.0 110.045 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 65.79 33.37 8.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.95 1.3 . . . . 25.0 112.907 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.1 m -103.51 92.37 4.02 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.9 -25.18 32.97 Favored 'Trans proline' 0 C--O 1.21 -0.894 0 C-N-CA 115.99 -2.207 . . . . 25.0 113.333 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.755 0.788 . . . . 25.0 110.929 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.1 -38.74 79.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.749 -0.659 . . . . 25.0 109.33 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.94 95.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 121.213 -0.195 . . . . 25.0 110.59 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.51 -40.63 93.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.093 0.473 . . . . 25.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.0 -43.8 91.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.961 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -70.07 -32.76 71.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.029 -0.419 . . . . 25.0 110.87 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -61.58 -45.55 93.63 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.29 96.89 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.805 -0.712 . . . . 25.0 112.745 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.27 -37.67 87.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.096 -0.649 . . . . 25.0 110.069 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.8 m -67.17 -39.2 86.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.66 -0.245 . . . . 25.0 110.359 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.16 -46.83 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.8 m -65.25 -38.23 89.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 25.0 111.282 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -66.85 -37.43 84.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.659 0.266 . . . . 25.0 110.954 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 56' ' ' ALA . 48.0 mt -61.69 -40.0 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -64.64 -44.04 91.74 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 120.79 -0.364 . . . . 25.0 111.212 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.41 -43.16 99.47 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.25 0.548 . . . . 25.0 111.601 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.87 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.29 -31.3 60.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.19 -27.02 67.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.981 0.42 . . . . 25.0 110.447 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -89.51 -11.5 42.69 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 46.0 mt -84.76 -9.06 58.56 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.373 0.421 . . . . 25.0 110.787 172.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.481 0 CA-C-O 118.752 -1.027 . . . . 25.0 110.721 172.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 118.596 -0.716 . . . . 25.0 109.407 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.98 61.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.788 1.176 . . . . 25.0 108.632 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -127.83 160.44 61.14 Favored Pre-proline 0 C--O 1.24 0.571 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.7 53.76 4.77 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 120.717 0.945 . . . . 25.0 114.383 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tp -131.86 139.36 50.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.1 -53.58 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.567 -0.288 . . . . 25.0 111.615 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.96 -44.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.97 -157.66 19.21 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 110.31 -1.116 . . . . 25.0 110.31 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.42 158.06 58.82 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 119.334 1.567 . . . . 25.0 112.677 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.84 163.98 37.12 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 N-CA-C 113.215 0.429 . . . . 25.0 113.215 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -68.95 169.55 17.61 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 N-CA-C 110.641 -0.561 . . . . 25.0 110.641 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.33 8.95 1.62 Allowed 'Trans proline' 0 CA--C 1.539 0.742 0 N-CA-C 114.538 0.938 . . . . 25.0 114.538 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.92 157.16 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -65.28 -21.69 66.76 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 -150.88 51.37 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.02 -0.609 . . . . 25.0 111.795 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.27 -160.16 21.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 107.726 -2.15 . . . . 25.0 107.726 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.85 144.97 80.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 104.538 -2.393 . . . . 25.0 104.538 172.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.93 11.39 0.89 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 121.586 1.524 . . . . 25.0 115.93 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.56 1.49 28.38 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 117.26 1.664 . . . . 25.0 117.26 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 t -125.45 -0.27 7.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.874 1.337 . . . . 25.0 109.865 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.67 -14.48 14.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.341 0.591 . . . . 25.0 109.542 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -137.26 175.74 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 t -98.61 20.25 13.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.26 173.75 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 47.95 2.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.735 -1.58 . . . . 25.0 106.735 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.48 62.64 1.4 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -83.23 146.32 28.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.77 -36.08 73.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.34 46.77 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.7 m -75.45 136.32 40.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 117.615 0.708 . . . . 25.0 110.461 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.0 mt 52.6 67.47 3.89 Favored Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.45 163.33 38.43 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 117.451 -1.233 . . . . 25.0 111.95 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -72.19 36.97 0.07 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.936 1.828 . . . . 25.0 115.936 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -152.07 139.86 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.601 0.715 . . . . 25.0 110.816 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -150.29 84.8 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.329 -2.471 . . . . 25.0 104.329 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 60.28 16.06 5.87 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 122.758 1.266 . . . . 25.0 110.311 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -66.81 -27.95 67.98 Favored 'General case' 0 C--O 1.206 -1.209 0 CA-C-N 114.572 -1.194 . . . . 25.0 112.679 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.51 -10.1 59.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.95 -40.61 4.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 25.0 109.821 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.32 -34.51 63.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.282 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -123.98 154.65 67.87 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.03 163.24 39.21 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 114.905 -2.93 . . . . 25.0 108.573 166.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.49 80.11 2.57 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 121.11 0.481 . . . . 25.0 111.464 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.17 166.97 28.1 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 CA-C-N 117.659 0.199 . . . . 25.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.62 -15.56 50.64 Favored 'Trans proline' 0 C--N 1.35 0.625 0 N-CA-C 115.059 1.138 . . . . 25.0 115.059 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -38.62 77.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.916 -0.49 . . . . 25.0 110.373 174.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.81 -26.87 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.867 -0.52 . . . . 25.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.06 76.58 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.38 74.1 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.154 0.502 . . . . 25.0 111.329 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.41 -36.79 83.71 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.077 -0.511 . . . . 25.0 110.873 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.09 -34.99 43.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.47 -0.768 . . . . 25.0 110.361 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.51 89.22 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -65.92 -24.62 66.87 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.607 -0.683 . . . . 25.0 112.112 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -74.82 -41.33 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -63.74 -32.74 74.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.393 0.616 . . . . 25.0 110.645 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.71 -34.33 71.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.93 -0.577 . . . . 25.0 110.321 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -71.26 -29.3 64.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.168 0.432 . . . . 25.0 112.168 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.39 -31.69 71.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.319 0.581 . . . . 25.0 111.3 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.98 -29.91 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.065 0.459 . . . . 25.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.57 -26.44 67.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.757 -0.59 . . . . 25.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -80.69 -13.9 58.6 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.348 0.594 . . . . 25.0 112.273 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.37 -4.83 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 O-C-N 121.559 -0.713 . . . . 25.0 111.425 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.36 -24.39 43.88 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.18 -0.95 . . . . 25.0 110.468 170.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -55.57 -32.21 62.84 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -31.29 72.39 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.401 -0.812 . . . . 25.0 111.7 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.1 -43.05 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.99 -44.8 91.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.022 176.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -76.17 -3.31 35.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 tttt 57.48 29.69 17.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.907 0.861 . . . . 25.0 111.562 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.68 57.7 4.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -171.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -46.18 -50.64 36.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 N-CA-C 115.423 1.638 . . . . 25.0 115.423 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.29 -21.69 11.64 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 113.976 -3.549 . . . . 25.0 115.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 m -79.53 -24.47 42.19 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.976 -0.453 . . . . 25.0 112.04 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.2 tm? -58.27 -42.57 86.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -60.97 -21.72 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -94.55 -54.68 3.42 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.098 0.475 . . . . 25.0 110.858 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.16 -44.38 97.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.46 -37.6 77.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.771 0.796 . . . . 25.0 109.361 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.24 -30.06 68.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.234 -0.894 . . . . 25.0 111.607 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.58 -45.22 84.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -65.65 -42.89 90.87 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.41 93.47 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.045 -0.979 . . . . 25.0 110.671 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 m -63.36 -45.92 88.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.78 -0.575 . . . . 25.0 110.936 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -62.03 -45.34 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.8 tp -59.62 -37.77 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 25.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -65.81 -40.5 91.91 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.932 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -68.22 -38.41 81.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.715 0.293 . . . . 25.0 110.602 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.8 -47.9 67.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 25.0 110.298 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.19 -35.93 80.36 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.583 -0.698 . . . . 25.0 112.057 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -56.53 -31.66 64.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.632 0.373 . . . . 25.0 110.48 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -79.1 -46.8 17.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.292 -0.262 . . . . 25.0 110.292 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.33 -41.77 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -61.63 -18.29 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -79.84 -9.73 59.7 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.047 -0.408 . . . . 25.0 112.051 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.28 95.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 25.0 110.588 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -132.08 80.64 63.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 107.751 -1.203 . . . . 25.0 107.751 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.2 22.6 0.32 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 N-CA-C 116.961 1.869 . . . . 25.0 116.961 -171.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -107.86 -130.48 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.751 -0.593 . . . . 25.0 110.955 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.28 -29.65 69.32 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 118.452 0.569 . . . . 25.0 111.978 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.64 -37.87 88.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.622 -0.674 . . . . 25.0 110.427 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -66.25 -38.6 88.24 Favored 'General case' 0 C--O 1.215 -0.763 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -62.94 -47.5 82.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -61.03 -46.76 89.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.1 0.476 . . . . 25.0 110.849 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.593 -0.276 . . . . 25.0 111.251 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.12 -36.7 85.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.162 -0.336 . . . . 25.0 111.416 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -72.29 -35.94 68.82 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.797 -0.361 . . . . 25.0 111.53 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.1 -38.18 82.01 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.544 -0.862 . . . . 25.0 109.246 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 m -62.49 -43.38 98.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -70.68 -37.02 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.178 -0.951 . . . . 25.0 111.294 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.22 -38.98 92.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.854 0.359 . . . . 25.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.38 -45.78 89.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.558 0.694 . . . . 25.0 109.798 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.93 -22.91 58.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.193 -0.458 . . . . 25.0 112.009 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -68.92 -39.23 79.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -66.69 -35.1 79.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.77 -42.48 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.459 -0.337 . . . . 25.0 110.997 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.0 -38.5 88.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 25.0 109.802 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.48 -33.41 75.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.019 -0.426 . . . . 25.0 110.376 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.23 -41.39 99.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 74' ' ' LEU . 12.4 t70 -64.85 -38.49 91.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.009 -0.432 . . . . 25.0 112.038 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -64.85 -40.66 95.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.471 -0.768 . . . . 25.0 109.7 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.49 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.877 0.37 . . . . 25.0 111.167 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.1 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -66.95 -31.74 72.52 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -80.67 2.64 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.75 0.31 . . . . 25.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt 68.87 26.42 5.89 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.316 1.046 . . . . 25.0 113.379 172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -101.49 97.98 8.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.071 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.26 -30.71 30.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 116.064 -2.157 . . . . 25.0 113.587 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.2 m -63.98 -37.41 87.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.158 0.504 . . . . 25.0 110.714 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.8 -30.97 56.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.06 -0.4 . . . . 25.0 110.375 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.04 98.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.333 -0.988 . . . . 25.0 108.333 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.04 -36.46 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.638 0.256 . . . . 25.0 110.949 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.738 0.304 . . . . 25.0 110.507 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.16 -27.75 59.84 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.001 -0.28 . . . . 25.0 111.018 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -62.06 -45.8 91.95 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 171.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.84 96.68 Favored Glycine 0 CA--C 1.516 0.152 0 C-N-CA 120.938 -0.648 . . . . 25.0 112.544 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.52 -38.35 87.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.101 -0.646 . . . . 25.0 109.904 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.8 m -65.99 -41.19 91.42 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.32 -0.252 . . . . 25.0 110.32 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.3 -45.85 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.6 t -63.63 -41.33 98.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 25.0 110.387 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -34.18 76.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.247 -0.283 . . . . 25.0 111.678 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.599 HG23 ' HB1' ' A' ' 56' ' ' ALA . 34.9 mt -62.45 -43.83 98.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.66 -40.13 93.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.14 -42.72 99.52 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.271 0.557 . . . . 25.0 111.337 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.6 t -69.35 -35.99 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.974 -1.121 . . . . 25.0 107.974 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -36.93 83.54 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.67 69.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 25.0 111.168 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -86.4 -10.97 53.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.794 0.33 . . . . 25.0 110.792 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.72 4.23 45.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.976 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 CA-C-O 117.47 -1.739 . . . . 25.0 115.602 -176.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.87 139.23 30.94 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 58.3 mtm-85 67.52 151.85 0.12 Allowed Pre-proline 0 N--CA 1.484 1.272 0 O-C-N 124.987 1.429 . . . . 25.0 112.523 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.38 84.82 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-O 121.913 0.714 . . . . 25.0 112.082 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.7 pt -77.49 148.79 6.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.206 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.09 -8.43 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.448 0.642 . . . . 25.0 110.854 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -145.18 -24.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.4 -78.23 0.33 Allowed Glycine 0 CA--C 1.517 0.201 0 N-CA-C 111.011 -0.836 . . . . 25.0 111.011 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.77 158.94 55.23 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.1 1.45 . . . . 25.0 111.719 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.98 156.27 56.43 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 117.249 -1.367 . . . . 25.0 112.05 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.94 165.33 32.36 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 117.918 -0.922 . . . . 25.0 110.696 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.68 0.59 9.01 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.863 -0.958 . . . . 25.0 113.373 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -94.31 135.94 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -78.54 -14.4 59.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.34 129.86 9.36 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.806 -0.711 . . . . 25.0 112.146 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.85 -170.15 41.69 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.8 tp 50.28 80.11 0.31 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.75 16.7 1.25 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 N-CA-C 114.275 0.837 . . . . 25.0 114.275 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.32 -162.38 9.11 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 108.123 -1.991 . . . . 25.0 108.123 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.4 p -109.49 134.35 51.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.958 0.885 . . . . 25.0 110.788 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.45 137.97 58.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.515 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 t30 57.06 24.77 9.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.14 -0.936 . . . . 25.0 112.859 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 -38.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.31 -0.404 . . . . 25.0 111.369 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.78 174.78 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.38 -6.19 50.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.551 1.315 . . . . 25.0 114.551 -173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.62 63.19 2.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.675 0.79 . . . . 25.0 112.65 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 90.4 -38.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 127.175 2.19 . . . . 25.0 113.245 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 18.6 t70 54.83 -144.67 0.67 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 -175.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 28' ' ' ASP . . . -168.8 16.97 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 CA-C-O 119.529 -0.595 . . . . 25.0 113.934 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 66.2 p -125.1 162.15 25.24 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.149 0.974 . . . . 25.0 111.217 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.28 73.61 79.88 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 122.447 0.299 . . . . 25.0 111.029 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -79.33 32.66 0.48 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 N-CA-C 115.275 1.221 . . . . 25.0 115.275 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -56.39 -38.74 71.9 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.678 0.622 . . . . 25.0 112.678 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 p -89.54 -17.25 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.554 1.316 . . . . 25.0 114.554 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -43.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -90.54 -14.5 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.253 1.025 . . . . 25.0 108.709 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -74.84 -4.43 37.79 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.874 -1.057 . . . . 25.0 113.501 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.39 -16.09 58.0 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.635 -0.426 . . . . 25.0 110.419 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -123.96 -42.14 2.18 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -175.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.27 -28.81 62.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.869 0.322 . . . . 25.0 111.869 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -124.06 153.75 67.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.14 176.47 9.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 118.08 -0.813 . . . . 25.0 110.113 171.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -112.24 78.7 2.58 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 121.048 0.451 . . . . 25.0 111.27 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.34 161.7 39.82 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 116.633 -1.778 . . . . 25.0 110.498 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -69.41 -11.71 31.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.09 -1.474 . . . . 25.0 114.303 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.2 p -71.46 -46.27 60.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.053 -0.405 . . . . 25.0 109.935 174.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.63 -21.9 60.16 Favored 'General case' 0 CA--C 1.512 -0.481 0 O-C-N 121.918 -0.489 . . . . 25.0 110.313 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.49 69.06 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.99 88.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 25.0 110.081 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.76 -46.53 78.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.582 -0.281 . . . . 25.0 111.389 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -27.08 61.34 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.814 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.48 95.76 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.017 -0.427 . . . . 25.0 109.941 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.55 -32.86 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.015 -0.428 . . . . 25.0 110.648 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t -69.87 -48.4 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -61.32 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.424 0.63 . . . . 25.0 111.417 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.5 -31.23 70.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.922 -0.487 . . . . 25.0 111.109 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.216 -0.303 . . . . 25.0 111.275 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.56 -31.75 72.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.438 0.637 . . . . 25.0 109.614 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.62 -29.88 46.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -66.54 -24.78 66.42 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.317 -0.864 . . . . 25.0 111.431 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.14 -15.98 59.33 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.9 m -64.66 -6.79 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.36 1.615 . . . . 25.0 115.36 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -56.77 -26.45 57.58 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 122.09 -0.381 . . . . 25.0 110.293 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.36 -22.85 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.681 0.993 . . . . 25.0 113.681 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -79.79 -15.61 57.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 120.94 -1.1 . . . . 25.0 111.915 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.43 -49.6 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.442 0.163 . . . . 25.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -29.13 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -75.69 -13.05 60.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.202 -0.454 . . . . 25.0 111.185 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt 55.55 34.28 22.81 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 122.054 0.931 . . . . 25.0 109.722 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.37 66.39 9.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.002 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -46.34 -49.21 44.18 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.435 1.642 . . . . 25.0 115.435 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.6 -29.89 8.48 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 113.407 -3.929 . . . . 25.0 114.618 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 m -70.4 -34.28 72.36 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.88 -47.94 76.03 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.662 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -57.8 -36.26 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.479 -0.489 . . . . 25.0 110.292 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.32 -61.35 1.81 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.137 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -35.96 81.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.48 . . . . 25.0 111.616 -173.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.83 -48.35 80.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.113 -0.367 . . . . 25.0 111.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -72.42 -28.84 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.597 -0.441 . . . . 25.0 111.32 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.81 -49.99 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.077 0.399 . . . . 25.0 110.863 176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -64.98 -34.97 79.71 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.52 0.676 . . . . 25.0 110.304 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -62.66 -37.94 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.458 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.3 m -65.95 -39.87 90.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.812 -0.555 . . . . 25.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.08 -43.85 97.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.69 -41.5 90.84 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.156 0.503 . . . . 25.0 110.275 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -61.54 -40.63 95.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 119.261 -0.4 . . . . 25.0 111.517 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.76 -48.64 73.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.393 0.542 . . . . 25.0 110.983 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -63.35 -47.79 80.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.497 0.665 . . . . 25.0 110.783 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.07 -32.63 73.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.95 -18.87 63.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.502 -0.749 . . . . 25.0 110.682 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.4 m -78.99 -42.01 27.65 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.36 -43.28 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.68 -13.78 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.1 m -84.27 -8.21 59.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.07 -10.78 59.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.994 0.739 . . . . 25.0 112.994 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.44 165.85 28.6 Favored Pre-proline 0 N--CA 1.467 0.421 0 CA-C-O 119.453 -0.308 . . . . 25.0 110.204 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.74 145.64 94.97 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 115.06 -2.827 . . . . 25.0 111.201 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -69.83 -21.38 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.244 1.201 . . . . 25.0 114.244 -168.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -50.77 57.15 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -64.73 -28.53 69.65 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.23 1.014 . . . . 25.0 109.421 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -87.37 -12.88 45.01 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.405 -0.816 . . . . 25.0 113.152 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.81 -31.53 64.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.07 -0.968 . . . . 25.0 108.853 172.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -58.11 -40.45 81.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.937 0.398 . . . . 25.0 112.03 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -33.64 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.709 -0.619 . . . . 25.0 109.397 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -69.5 -23.53 63.63 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.23 -48.37 78.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -67.91 -36.42 80.16 Favored 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.826 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 m -57.81 -38.2 75.12 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.5 m -76.13 -43.3 43.7 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.999 -0.438 . . . . 25.0 111.801 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.9 -34.78 78.54 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.03 -40.62 89.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 82' ' ' ALA . 7.6 m-85 -77.72 -23.16 49.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.677 -0.692 . . . . 25.0 111.579 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -67.4 -38.89 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.3 m -70.09 -34.21 72.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.029 -0.36 . . . . 25.0 110.029 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -64.22 -45.63 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 122.216 0.207 . . . . 25.0 110.818 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.61 -40.63 97.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 25.0 109.876 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.97 -36.62 82.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.972 0.415 . . . . 25.0 111.294 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.97 -45.42 92.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.263 0.554 . . . . 25.0 109.715 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.55 70.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.052 -176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -65.68 -38.5 89.46 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.066 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.418 0.628 . . . . 25.0 110.321 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.57 75.53 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -65.88 -31.7 72.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.954 -0.466 . . . . 25.0 112.117 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.37 2.2 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 121.402 0.62 . . . . 25.0 109.837 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 66.66 32.11 7.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.077 1.351 . . . . 25.0 113.302 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -105.27 88.71 2.69 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.87 -29.41 28.4 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 116.258 -2.028 . . . . 25.0 114.021 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.0 m -66.08 -37.06 84.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.27 0.557 . . . . 25.0 110.569 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -71.04 -38.5 72.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.2 77.9 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.342 -0.39 . . . . 25.0 110.427 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.66 -36.23 82.06 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.832 -0.543 . . . . 25.0 111.598 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -64.8 -43.7 92.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.027 -0.269 . . . . 25.0 111.201 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -61.45 -43.77 98.28 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.08 -41.41 99.45 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.701 -0.761 . . . . 25.0 112.528 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -64.36 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.279 -0.542 . . . . 25.0 110.24 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 28.5 m -66.5 -42.24 87.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.51 -44.51 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 110.178 -0.305 . . . . 25.0 110.178 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.7 m -63.13 -41.84 99.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 25.0 111.534 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -66.28 -39.04 89.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.061 -0.256 . . . . 25.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 56' ' ' ALA . 60.7 mt -63.47 -45.01 99.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.6 -44.74 89.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.614 0.245 . . . . 25.0 111.39 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.64 -38.4 89.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.89 -38.25 81.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.32 -40.16 95.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.365 0.126 . . . . 25.0 110.835 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.89 -31.63 72.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 25.0 111.419 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -84.22 -8.79 58.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.165 0.507 . . . . 25.0 111.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.19 13.11 32.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.227 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.909 0 CA-C-O 117.806 -1.552 . . . . 25.0 111.841 179.459 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.529 -0.272 . . . . 25.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.75 -45.88 0.54 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.326 1.973 . . . . 25.0 116.326 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.84 73.75 0.91 Allowed Pre-proline 0 N--CA 1.48 1.042 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -65.33 149.54 88.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 115.174 -2.751 . . . . 25.0 109.218 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 pt -132.03 159.28 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.778 0.323 . . . . 25.0 110.969 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.82 -9.55 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -78.6 137.07 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.921 -0.581 . . . . 25.0 109.812 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.06 -58.93 4.15 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.433 -0.648 . . . . 25.0 113.589 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.88 168.03 19.83 Favored 'Trans proline' 0 C--N 1.351 0.692 0 CA-C-N 119.415 1.608 . . . . 25.0 110.158 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -62.1 149.7 89.43 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 116.017 -2.189 . . . . 25.0 113.143 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.31 154.83 71.22 Favored 'Trans proline' 0 C--N 1.347 0.488 0 N-CA-C 113.406 0.502 . . . . 25.0 113.406 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.26 171.88 17.42 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 113.982 0.724 . . . . 25.0 113.982 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.77 139.4 56.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.096 -0.956 . . . . 25.0 108.665 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 m 66.66 15.28 10.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.74 162.41 53.75 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.849 -1.3 . . . . 25.0 109.849 172.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.13 -103.59 0.3 Allowed Glycine 0 C--O 1.226 -0.4 0 CA-C-N 117.513 0.656 . . . . 25.0 112.841 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -75.26 158.26 84.05 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.64 -0.51 10.7 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.572 1.335 . . . . 25.0 115.572 -175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 179.47 51.78 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 121.132 -0.556 . . . . 25.0 114.032 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 p -88.51 0.46 56.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 25.0 111.709 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.442 0.904 . . . . 25.0 113.442 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -126.85 -21.83 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.4 t -159.16 141.93 14.2 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -71.16 -15.82 62.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.295 0.569 . . . . 25.0 111.207 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.08 -31.79 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.575 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 69.82 -43.47 0.53 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.821 1.648 . . . . 25.0 113.02 -173.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -163.12 163.25 25.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.043 -1.836 . . . . 25.0 106.043 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.72 116.58 5.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.587 0.708 . . . . 25.0 112.151 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.99 -62.13 2.53 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m 55.14 19.97 3.11 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.4 mt 68.11 154.77 0.14 Allowed Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 125.498 1.519 . . . . 25.0 112.781 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.48 150.46 84.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 115.579 -2.481 . . . . 25.0 111.971 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -56.81 14.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.9 p -125.7 155.14 41.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 121.93 -0.481 . . . . 25.0 110.369 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 -72.65 0.23 Allowed 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.37 -30.59 71.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.921 0.867 . . . . 25.0 112.938 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -58.64 -22.01 55.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -63.84 -24.16 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -98.75 -27.42 13.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.136 0.493 . . . . 25.0 111.647 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -88.21 -33.4 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -173.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.96 151.95 65.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -68.07 161.97 42.02 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 116.955 -1.563 . . . . 25.0 109.15 167.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -110.86 84.88 4.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 113.399 0.888 . . . . 25.0 113.399 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.8 163.19 37.75 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 117.797 -1.002 . . . . 25.0 112.104 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -65.97 -14.86 46.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 N-CA-C 114.655 0.983 . . . . 25.0 114.655 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -38.23 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.934 -0.479 . . . . 25.0 110.68 174.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -73.71 -30.94 63.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.676 -0.64 . . . . 25.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.1 75.05 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.54 95.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 25.0 110.506 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -64.83 -39.53 93.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.846 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.82 -37.45 79.22 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 122.155 -0.341 . . . . 25.0 110.335 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.7 70.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -33.91 76.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.773 -0.771 . . . . 25.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.54 -40.04 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -61.2 -34.36 74.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.119 0.485 . . . . 25.0 110.037 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -69.54 -40.83 76.64 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.224 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.042 -0.411 . . . . 25.0 111.041 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.52 -27.97 69.33 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.852 -0.53 . . . . 25.0 111.933 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.49 -38.25 82.11 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 109.268 -0.642 . . . . 25.0 109.268 174.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.53 -22.02 54.96 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.731 -0.606 . . . . 25.0 111.665 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.32 -15.72 60.82 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 121.397 0.617 . . . . 25.0 112.171 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.2 -4.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -54.34 -31.27 54.03 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 122.107 -0.371 . . . . 25.0 110.457 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.48 -33.19 65.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -72.26 -23.89 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.629 -0.669 . . . . 25.0 112.254 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.8 mt -68.91 -45.73 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -65.51 -36.09 82.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.766 0.793 . . . . 25.0 110.098 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -74.24 -6.97 51.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.736 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 58.96 27.93 16.94 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.843 0.83 . . . . 25.0 110.881 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.25 66.07 4.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.236 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -47.8 -46.89 63.08 Favored Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 115.46 1.652 . . . . 25.0 115.46 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.63 -23.33 19.8 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 114.065 -3.49 . . . . 25.0 115.045 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.2 m -79.94 -41.31 26.28 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.51 -47.66 81.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 25.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.14 -17.55 63.2 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -85.77 -53.69 4.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.1 -36.81 80.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.469 . . . . 25.0 111.265 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.08 -45.19 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 25.0 110.587 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -73.97 -33.53 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.739 -0.385 . . . . 25.0 111.047 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.29 -50.63 64.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.074 0.397 . . . . 25.0 110.766 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -65.33 -38.7 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.233 -0.292 . . . . 25.0 110.521 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.35 90.83 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.6 m -64.4 -41.25 96.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.832 -0.543 . . . . 25.0 111.262 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -63.48 -44.86 93.19 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 25.0 109.626 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.24 -35.76 81.4 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.552 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.3 tpt85 -60.72 -43.58 97.68 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.003 -0.435 . . . . 25.0 110.6 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.37 -36.33 68.7 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.114 -0.234 . . . . 25.0 111.385 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -61.64 -53.03 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.66 -37.11 80.47 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 116.39 -0.368 . . . . 25.0 111.618 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -55.83 -30.12 60.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.419 0.152 . . . . 25.0 110.74 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.0 m -85.15 -44.63 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.777 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.72 -42.31 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.948 0.722 . . . . 25.0 112.948 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.1 pt -59.55 -23.45 25.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 O-C-N 122.083 -0.386 . . . . 25.0 111.882 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 t -62.51 -27.78 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.13 63.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -76.35 153.05 83.98 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.254 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.31 169.65 14.99 Favored 'Trans proline' 0 C--N 1.352 0.744 0 CA-C-N 118.043 0.337 . . . . 25.0 112.43 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -42.01 -51.54 4.44 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -172.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -74.53 -41.24 60.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.33 -176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.15 -29.44 69.73 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.625 -0.672 . . . . 25.0 111.04 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -61.49 -34.35 75.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.18 -46.07 21.46 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.6 t -56.15 -44.4 79.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.119 0.485 . . . . 25.0 112.223 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.74 -39.68 94.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.2 -0.313 . . . . 25.0 110.957 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.945 -0.302 . . . . 25.0 111.703 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.82 -41.59 91.66 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.537 -0.465 . . . . 25.0 109.804 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.25 -38.04 81.4 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.26 -0.576 . . . . 25.0 109.979 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.8 m -59.02 -42.42 90.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 t -69.88 -44.28 70.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.315 0.578 . . . . 25.0 111.236 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -60.58 -39.84 89.52 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.121 -0.491 . . . . 25.0 111.797 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 141' ' ' ILE . 7.2 tt -64.19 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.73 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.02 -20.2 62.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.946 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -68.59 -35.36 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.804 -0.56 . . . . 25.0 109.579 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 m -69.65 -31.73 69.99 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.895 -0.503 . . . . 25.0 110.22 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.73 -45.64 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.3 -34.68 78.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 25.0 111.55 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.9 -40.58 83.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.112 -0.368 . . . . 25.0 110.841 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.77 -41.15 96.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.94 96.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.602 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.58 -39.29 91.47 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.826 -1.171 . . . . 25.0 112.282 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.21 86.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.292 0.568 . . . . 25.0 109.966 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.5 -51.84 57.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -62.91 -34.84 78.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.977 -0.452 . . . . 25.0 111.186 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -83.39 7.61 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 111.741 0.274 . . . . 25.0 111.741 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 67.55 34.84 4.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.898 0.879 . . . . 25.0 112.1 172.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.5 m -110.65 89.0 8.44 Favored Pre-proline 0 N--CA 1.469 0.492 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.606 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.5 -29.64 30.42 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 117.497 -1.202 . . . . 25.0 115.155 -177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.4 m -63.9 -42.43 97.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 109.786 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -74.77 -31.32 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.822 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.38 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.85 -31.01 68.63 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.103 -0.373 . . . . 25.0 111.015 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -64.22 -48.85 74.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.24 -32.23 72.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.485 -0.325 . . . . 25.0 110.575 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.03 -45.87 93.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.27 97.87 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.986 -0.626 . . . . 25.0 112.142 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.73 -35.51 80.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.22 -0.576 . . . . 25.0 109.885 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 42.5 m -66.73 -35.96 81.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-O 118.921 -0.561 . . . . 25.0 110.216 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.38 -45.09 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.337 0.971 . . . . 25.0 109.568 177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.5 m -65.42 -38.69 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.916 0.389 . . . . 25.0 111.352 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.63 -39.91 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.102 0.477 . . . . 25.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.559 HG23 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mm -63.69 -43.36 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -57.48 -44.0 84.56 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.714 0.635 . . . . 25.0 112.714 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -64.92 -39.4 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.081 0.467 . . . . 25.0 111.299 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.56 -38.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.37 -37.62 87.99 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.91 68.12 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.875 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.68 -10.74 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.063 0.394 . . . . 25.0 112.063 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.09 -35.66 78.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 CA-C-O 118.239 -1.312 . . . . 25.0 111.783 178.665 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 119.229 -0.415 . . . . 25.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.59 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -66.99 122.89 84.57 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 108.313 -0.995 . . . . 25.0 108.313 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -72.15 138.67 31.1 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.634 -1.777 . . . . 25.0 113.16 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.0 pt -144.61 161.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.51 -50.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 131.01 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 171.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.75 -61.41 5.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.344 -0.698 . . . . 25.0 112.965 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -68.88 160.55 49.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 116.55 -1.833 . . . . 25.0 110.635 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.12 152.29 76.47 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 116.176 -2.083 . . . . 25.0 112.867 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.88 146.94 54.56 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 117.018 -1.521 . . . . 25.0 111.732 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.91 -12.59 26.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.625 1.356 . . . . 25.0 115.625 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.44 4.02 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -150.34 -31.73 0.19 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.3 -0.67 85.76 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.798 -0.921 . . . . 25.0 110.798 -176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.29 -151.33 20.63 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 108.415 -1.874 . . . . 25.0 108.415 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.8 mt 63.11 156.18 0.12 Allowed Pre-proline 0 N--CA 1.481 1.091 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.49 -10.98 20.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 N-CA-C 113.268 0.449 . . . . 25.0 113.268 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.46 -161.04 26.77 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 104.8 -3.32 . . . . 25.0 104.8 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.7 t -90.26 -4.26 57.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.486 1.143 . . . . 25.0 108.605 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.9 170.49 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.515 -0.766 . . . . 25.0 111.219 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.8 t30 40.51 74.95 0.09 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 117.77 2.507 . . . . 25.0 117.77 175.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 -0.48 1.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.802 1.778 . . . . 25.0 115.802 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -27.73 45.35 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.153 0.502 . . . . 25.0 110.028 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -66.36 144.73 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 25.0 110.266 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.12 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -65.42 -39.19 91.82 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.189 -0.46 . . . . 25.0 112.193 -177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -151.36 93.08 1.85 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.7 -0.682 . . . . 25.0 110.009 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.39 -108.97 1.01 Allowed Glycine 0 C--O 1.225 -0.451 0 CA-C-N 116.23 -0.441 . . . . 25.0 114.03 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t 49.56 -167.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.49 138.46 74.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.608 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.75 171.65 16.87 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 117.159 -1.427 . . . . 25.0 111.698 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -45.81 122.87 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p 48.84 17.26 0.14 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 117.444 2.387 . . . . 25.0 117.444 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -49.94 -55.75 13.28 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.822 1.786 . . . . 25.0 115.822 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.46 -13.53 34.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.432 0.634 . . . . 25.0 110.332 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -64.9 -28.04 69.27 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.359 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.62 -22.97 57.94 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.93 -31.42 8.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.112 0.482 . . . . 25.0 111.18 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.48 -39.84 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -123.76 156.95 64.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 122.427 0.291 . . . . 25.0 110.614 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -68.57 156.45 65.5 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 115.618 -2.455 . . . . 25.0 110.32 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' H ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.84 84.58 6.85 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-O 121.466 0.65 . . . . 25.0 112.119 -178.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -71.23 166.9 27.78 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.094 0.529 . . . . 25.0 112.876 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -65.8 -16.2 52.12 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.011 1.12 . . . . 25.0 115.011 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -69.24 -43.22 74.45 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.848 -0.532 . . . . 25.0 109.748 174.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -75.27 -12.21 60.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 25.0 111.168 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.44 -24.87 67.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.783 -0.573 . . . . 25.0 109.515 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -29.06 69.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.072 0.463 . . . . 25.0 110.424 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -71.4 -21.62 61.97 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.135 -0.353 . . . . 25.0 111.353 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -87.26 -41.28 13.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.81 78.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.905 . . . . 25.0 112.612 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -58.71 -33.63 70.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.613 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.89 -42.86 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.1 -0.375 . . . . 25.0 110.927 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 p -64.67 -27.78 69.15 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.762 -0.586 . . . . 25.0 110.257 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.39 -37.08 68.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.775 0.321 . . . . 25.0 111.165 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -71.51 -27.25 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.37 -29.7 70.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.136 0.494 . . . . 25.0 110.94 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.19 -32.47 58.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.684 -0.487 . . . . 25.0 109.684 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.25 -34.88 79.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.935 -0.478 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.71 -21.81 64.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.18 -4.07 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 121.665 -0.647 . . . . 25.0 111.724 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -53.01 -27.61 20.21 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.429 -0.794 . . . . 25.0 111.04 171.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -58.35 -14.09 6.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.68 71.7 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.535 -1.353 . . . . 25.0 110.042 175.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.28 -50.83 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.971 0.415 . . . . 25.0 110.92 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -79.5 -9.26 59.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.887 0.328 . . . . 25.0 111.887 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.1 tttt 55.1 28.95 11.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.867 0.841 . . . . 25.0 111.239 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.15 68.83 5.2 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -169.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -43.1 -52.4 12.07 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.177 1.917 . . . . 25.0 116.177 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.13 -18.49 12.76 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 114.221 -3.386 . . . . 25.0 114.998 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 t -72.83 -33.4 66.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 118' ' ' LEU . 27.3 tp -61.39 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.858 -0.337 . . . . 25.0 110.314 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -55.79 -33.97 64.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.633 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.84 -65.93 0.94 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.551 -0.295 . . . . 25.0 111.402 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -64.25 -39.9 94.9 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -170.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.24 -39.33 94.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.491 -0.756 . . . . 25.0 109.46 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -79.13 -25.02 42.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.073 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.08 -47.45 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -63.61 -38.9 92.87 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 112' ' ' PHE . . . -61.4 -35.32 77.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 25.0 110.938 177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 m -64.99 -36.74 85.38 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.69 -0.631 . . . . 25.0 111.633 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 73.4 m-85 -65.51 -45.38 83.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.272 0.558 . . . . 25.0 109.601 177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -37.08 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 25.0 110.775 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 17.8 tpt180 -59.74 -45.02 93.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 119.153 -0.451 . . . . 25.0 111.839 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 84' ' ' TYR . 4.7 p90 -76.8 -31.49 57.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.523 -0.871 . . . . 25.0 111.15 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.83 -48.03 78.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -36.78 85.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.157 -0.339 . . . . 25.0 111.182 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -62.45 -25.0 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 25.0 110.431 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -80.85 -45.95 16.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.55 -40.49 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.6 pt -61.8 -16.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.6 m -78.29 -10.79 59.81 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.364 -0.21 . . . . 25.0 111.214 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.34 -27.85 64.69 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.911 -0.403 . . . . 25.0 109.911 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -141.76 73.73 23.32 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.99 29.48 0.42 Allowed 'Trans proline' 0 CA--C 1.542 0.913 0 N-CA-C 117.41 2.042 . . . . 25.0 117.41 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -115.31 -122.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.606 -0.684 . . . . 25.0 111.954 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.89 -39.78 94.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.405 0.621 . . . . 25.0 111.858 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.31 -32.26 73.63 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.031 -0.418 . . . . 25.0 111.007 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -63.43 -37.28 86.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 122.057 -0.402 . . . . 25.0 110.046 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -67.99 -50.39 55.9 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 t -55.97 -46.72 78.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.94 0.4 . . . . 25.0 111.255 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.55 -40.0 92.38 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.64 -0.424 . . . . 25.0 112.137 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -69.2 -30.59 68.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.661 0.664 . . . . 25.0 111.872 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.41 -42.16 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.1 84.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.193 0.52 . . . . 25.0 111.187 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.0 m -59.92 -38.73 83.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -71.33 -39.05 71.6 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.507 -0.746 . . . . 25.0 111.307 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -58.53 -40.84 84.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.122 0.486 . . . . 25.0 110.512 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.15 -46.53 88.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 25.0 110.355 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 86' ' ' ARG . 8.7 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.273 -0.421 . . . . 25.0 112.128 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.6 m -67.93 -35.41 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.891 -0.505 . . . . 25.0 109.657 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -69.12 -35.91 76.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -65.17 -41.62 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.57 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.2 -37.19 85.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 25.0 110.646 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -67.74 -36.55 80.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.549 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -64.63 -43.0 95.11 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.27 -45.51 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -64.85 -35.29 80.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.109 -0.994 . . . . 25.0 112.859 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.91 82.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.004 0.431 . . . . 25.0 110.76 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.74 -45.63 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.001 -0.437 . . . . 25.0 110.236 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -66.25 -31.43 72.25 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.742 -0.383 . . . . 25.0 111.252 -177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.5 tp -82.86 2.73 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.105 0.479 . . . . 25.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt 69.51 27.45 4.87 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.4 t -107.69 102.56 45.53 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 111.9 0.334 . . . . 25.0 111.9 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.41 -19.61 21.83 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 116.741 -1.706 . . . . 25.0 113.429 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.63 -43.95 75.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.371 0.605 . . . . 25.0 109.693 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.76 -33.68 68.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.75 97.92 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.226 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.83 -35.84 81.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.086 0.469 . . . . 25.0 110.852 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.43 -47.11 87.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 25.0 109.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.08 -28.8 61.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.049 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.94 -44.28 96.51 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 173.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.17 96.57 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.206 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.18 -36.56 82.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.037 -0.684 . . . . 25.0 110.401 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.6 m -66.16 -39.39 89.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 119.658 -0.21 . . . . 25.0 110.685 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.45 -47.58 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.7 m -63.69 -38.58 91.63 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.893 0.377 . . . . 25.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.92 -39.24 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.538 HG23 ' HB1' ' A' ' 56' ' ' ALA . 49.6 mt -63.92 -41.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.25 -42.95 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.022 -0.271 . . . . 25.0 111.654 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.62 -43.69 98.18 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.918 0.389 . . . . 25.0 111.865 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.07 -37.47 80.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -30.45 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.54 64.78 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -87.89 -9.68 52.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.543 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.58 -2.15 48.94 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.969 174.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.617 -1.102 . . . . 25.0 112.065 178.324 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 119.695 -0.193 . . . . 25.0 110.594 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 153.29 37.23 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.916 0.709 . . . . 25.0 112.916 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 47.12 64.17 8.93 Favored Pre-proline 0 N--CA 1.481 1.075 0 N-CA-C 114.56 1.318 . . . . 25.0 114.56 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -77.31 43.15 1.26 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 N-CA-C 114.702 1.001 . . . . 25.0 114.702 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.38 -45.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.348 -0.845 . . . . 25.0 109.061 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.41 -27.17 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.43 -16.35 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.808 0.813 . . . . 25.0 110.423 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.2 78.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.83 152.77 77.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 CA-C-N 118.961 1.381 . . . . 25.0 113.235 -173.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.09 162.43 34.34 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 117.565 -1.157 . . . . 25.0 112.058 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -68.25 164.13 33.55 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 115.517 -2.522 . . . . 25.0 108.49 169.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.63 -6.97 18.0 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 117.346 -1.303 . . . . 25.0 113.864 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.18 -3.09 54.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.044 0.538 . . . . 25.0 110.968 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 m -133.88 177.24 7.88 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 122.664 0.386 . . . . 25.0 110.106 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.92 -173.61 13.66 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.05 29.88 1.85 Allowed Glycine 0 CA--C 1.524 0.614 0 CA-C-N 117.724 0.762 . . . . 25.0 114.6 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.66 80.35 55.23 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.328 0.651 . . . . 25.0 111.361 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.67 167.02 25.51 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 N-CA-C 109.798 -0.886 . . . . 25.0 109.798 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.72 29.75 0.44 Allowed Glycine 0 C--O 1.227 -0.304 0 C-N-CA 119.978 -1.106 . . . . 25.0 115.112 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -162.06 7.15 0.06 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.977 0.417 . . . . 25.0 111.429 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 56.2 mm-40 -100.85 161.02 13.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.992 0.425 . . . . 25.0 110.207 -173.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.75 121.27 11.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m 48.62 37.15 8.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.361 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 44.8 p30 -80.74 28.23 0.35 Allowed 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -176.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.64 -32.98 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.885 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.42 102.07 7.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -126.92 162.85 24.97 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -78.11 149.41 33.86 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.53 166.76 38.34 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 119.956 -1.116 . . . . 25.0 115.537 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -75.69 140.0 42.25 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 123.242 0.617 . . . . 25.0 111.257 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.23 152.2 70.64 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -71.56 100.89 1.08 Allowed 'Trans proline' 0 CA--C 1.536 0.603 0 CA-C-O 121.462 0.526 . . . . 25.0 112.739 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -58.17 -42.57 86.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -153.0 166.25 33.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -137.15 79.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 66.67 -30.73 0.15 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.965 2.209 . . . . 25.0 116.965 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -40.97 -38.13 0.92 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -59.28 -26.32 64.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.69 -21.12 55.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.45 . . . . 25.0 111.028 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.62 -44.6 4.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.523 . . . . 25.0 112.293 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -123.74 135.27 26.01 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 122.811 0.444 . . . . 25.0 111.046 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.64 155.32 54.52 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 116.911 -1.593 . . . . 25.0 112.297 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 43' ' ' LEU . 2.3 pt? -84.98 144.44 41.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.231 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.65 157.14 40.15 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 116.247 -2.035 . . . . 25.0 110.662 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.38 -15.53 34.78 Favored 'Trans proline' 0 C--N 1.346 0.41 0 N-CA-C 114.526 0.933 . . . . 25.0 114.526 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.5 p -69.35 -45.11 70.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.941 0.4 . . . . 25.0 110.268 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.9 -31.69 71.65 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.93 -32.03 72.4 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.142 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.76 93.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.326 0.584 . . . . 25.0 109.753 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.11 -45.88 79.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.909 -0.587 . . . . 25.0 109.491 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.4 -37.81 88.08 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.61 99.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.29 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.646 -0.422 . . . . 25.0 110.913 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.45 -39.85 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.169 -0.332 . . . . 25.0 111.054 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -63.27 -37.88 88.98 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.759 -0.588 . . . . 25.0 110.68 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -70.96 -30.05 66.23 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.231 -0.441 . . . . 25.0 110.369 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -71.37 -24.64 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.156 -0.34 . . . . 25.0 111.864 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.42 -32.5 74.16 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.421 -0.799 . . . . 25.0 109.233 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.79 -29.19 32.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.92 -26.62 68.67 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.512 -0.743 . . . . 25.0 109.966 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.73 -0.13 45.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -11.17 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 111.829 -176.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -58.7 -21.92 55.93 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -58.03 -31.94 67.48 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.791 -0.568 . . . . 25.0 112.017 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -65.64 -23.92 66.92 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.069 -0.395 . . . . 25.0 111.948 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -70.46 -45.3 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.55 -38.28 86.78 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.754 0.787 . . . . 25.0 109.52 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -13.6 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.138 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.4 mttt 53.55 36.6 23.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.205 1.002 . . . . 25.0 109.611 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.19 59.39 5.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.752 -174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -48.13 -49.88 58.29 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 114.596 1.332 . . . . 25.0 114.596 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.66 -15.85 21.45 Favored 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 114.791 -3.006 . . . . 25.0 115.025 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -91.04 -35.64 14.51 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.828 -0.545 . . . . 25.0 111.282 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.04 -40.29 94.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.078 -0.388 . . . . 25.0 110.618 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -63.77 -18.47 64.1 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.969 0.414 . . . . 25.0 111.974 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -94.79 -61.43 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.148 0.499 . . . . 25.0 110.563 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.5 -37.45 83.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -172.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.84 -42.89 99.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -73.22 -26.96 61.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 -44.02 73.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.273 0.488 . . . . 25.0 110.517 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -66.4 -39.19 88.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.24 90.79 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.317 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -64.91 -44.55 89.2 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.51 -0.744 . . . . 25.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.21 -43.64 97.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.399 0.619 . . . . 25.0 109.917 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.34 -41.38 84.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.492 -0.776 . . . . 25.0 110.748 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.14 -40.5 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 25.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -67.42 -45.6 75.62 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 121.026 -0.27 . . . . 25.0 110.731 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.75 -45.91 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.957 -0.386 . . . . 25.0 109.957 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.786 -0.571 . . . . 25.0 111.496 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -64.95 -25.93 68.09 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.791 -0.364 . . . . 25.0 110.026 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -78.9 -42.64 26.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.0 -43.73 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.9 pt -63.96 -14.93 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -83.45 -15.47 49.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.312 -0.242 . . . . 25.0 111.155 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.78 74.87 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -136.81 85.21 24.3 Favored Pre-proline 0 C--O 1.215 -0.712 0 CA-C-N 115.391 -0.822 . . . . 25.0 108.846 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -83.79 34.66 0.53 Allowed 'Trans proline' 0 CA--C 1.552 1.411 0 N-CA-C 117.25 1.981 . . . . 25.0 117.25 -172.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -108.39 -128.67 0.28 Allowed 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.989 -1.069 . . . . 25.0 112.615 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -76.05 -32.2 59.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.24 0.927 . . . . 25.0 110.834 -176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -25.17 65.86 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.78 -0.575 . . . . 25.0 109.605 176.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -34.55 77.85 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.648 -0.658 . . . . 25.0 109.947 171.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -40.64 47.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -68.6 -33.96 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.43 -42.49 74.93 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.566 -0.709 . . . . 25.0 109.231 174.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.63 -32.67 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.101 1.148 . . . . 25.0 114.101 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.67 -33.75 73.02 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.314 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.73 -36.35 70.44 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.61 -0.681 . . . . 25.0 110.12 172.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.3 m -59.69 -39.3 84.1 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -70.62 -42.22 71.2 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.522 -0.736 . . . . 25.0 111.371 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -57.64 -46.09 84.61 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -39.58 91.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.702 0.763 . . . . 25.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -74.16 -23.56 59.27 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.476 -0.49 . . . . 25.0 111.196 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -41.78 78.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.079 -0.388 . . . . 25.0 110.846 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 p -74.0 -30.3 62.4 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.949 -0.47 . . . . 25.0 110.14 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.45 -42.54 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -35.52 81.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.069 0.462 . . . . 25.0 111.015 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.61 -38.19 80.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.922 -0.311 . . . . 25.0 110.557 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.0 -41.2 95.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.38 0.61 . . . . 25.0 109.406 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -41.28 99.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.091 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -73.6 -32.42 64.09 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.706 -0.622 . . . . 25.0 111.58 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.48 76.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.172 0.51 . . . . 25.0 109.845 174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.26 -43.26 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.275 -0.421 . . . . 25.0 110.068 176.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.52 -33.22 75.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 25.0 111.005 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.99 6.74 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 120.977 0.418 . . . . 25.0 109.882 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.61 44.02 6.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.269 1.428 . . . . 25.0 114.494 177.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.3 t -104.12 102.04 29.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 106.889 -1.522 . . . . 25.0 106.889 172.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.56 -31.39 41.43 Favored 'Trans proline' 0 C--O 1.213 -0.725 0 C-N-CA 115.927 -2.249 . . . . 25.0 113.332 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.5 m -64.27 -42.13 96.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.935 0.398 . . . . 25.0 111.102 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -67.64 -40.46 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.38 95.51 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.824 -0.35 . . . . 25.0 110.528 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.58 -37.57 85.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.848 0.356 . . . . 25.0 110.331 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.65 -46.78 89.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.912 -0.493 . . . . 25.0 110.573 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -73.86 -29.36 62.07 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -62.18 -42.94 99.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 173.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.18 -36.39 90.55 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.686 -0.768 . . . . 25.0 111.971 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.14 -39.61 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.97 -0.723 . . . . 25.0 110.449 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.2 p -65.96 -34.42 78.08 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 118.527 -0.749 . . . . 25.0 111.112 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.97 -47.74 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.567 1.076 . . . . 25.0 110.296 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.3 m -63.81 -40.98 97.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 25.0 110.86 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.53 71.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.482 -0.326 . . . . 25.0 111.681 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.553 HG23 ' HB1' ' A' ' 56' ' ' ALA . 30.7 mt -65.42 -44.71 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.46 -40.18 81.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.629 0.233 . . . . 25.0 111.629 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.54 -45.46 92.85 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.131 0.491 . . . . 25.0 111.718 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.53 -34.16 66.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.1 -41.16 82.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.114 -0.366 . . . . 25.0 110.868 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.81 76.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.233 0.539 . . . . 25.0 109.887 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -69.9 -17.18 63.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.92 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.14 17.7 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.625 0.77 . . . . 25.0 111.506 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 CA-C-O 117.367 -1.796 . . . . 25.0 115.118 -174.139 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.43 -0.319 . . . . 25.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.88 61.31 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -149.08 146.34 21.2 Favored Pre-proline 0 N--CA 1.47 0.542 0 N-CA-C 103.294 -2.854 . . . . 25.0 103.294 170.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.02 99.02 0.95 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-O 121.843 0.685 . . . . 25.0 113.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.41 137.41 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.87 -43.23 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -148.96 152.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.39 171.99 13.98 Favored Glycine 0 N--CA 1.455 -0.039 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.79 151.1 57.01 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-N 119.01 1.405 . . . . 25.0 110.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.27 145.2 65.19 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 115.439 -2.574 . . . . 25.0 111.61 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.47 156.32 54.35 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 116.293 -2.005 . . . . 25.0 111.324 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.33 169.68 19.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 117.177 -1.415 . . . . 25.0 110.479 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.004 0.43 . . . . 25.0 111.535 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 p -89.44 6.7 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.414 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.57 115.42 4.08 Favored Glycine 0 C--O 1.227 -0.316 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.082 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.92 -171.94 44.5 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 106.287 -2.725 . . . . 25.0 106.287 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt 49.9 63.81 9.52 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.07 153.93 62.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 116.35 -1.967 . . . . 25.0 112.223 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 10.71 72.58 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 121.26 -0.495 . . . . 25.0 111.973 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -138.66 168.26 20.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.46 -1.681 . . . . 25.0 106.46 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.12 -16.23 64.2 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 65.09 24.07 12.46 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.3 1.04 . . . . 25.0 111.618 -177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 t 58.74 -142.64 0.65 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.309 -0.86 . . . . 25.0 112.138 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.52 -20.0 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.109 0.48 . . . . 25.0 111.599 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -79.45 91.66 5.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.9 126.25 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.929 -1.878 . . . . 25.0 105.929 174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -64.83 -35.9 82.6 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.26 -63.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.57 0.544 . . . . 25.0 110.003 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 171.58 43.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 114.416 0.526 . . . . 25.0 114.416 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 p -141.8 168.02 20.75 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.52 148.58 70.56 Favored Pre-proline 0 N--CA 1.467 0.385 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.57 153.76 39.38 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 118.418 -0.588 . . . . 25.0 112.322 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -114.9 -28.4 7.06 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.348 1.61 . . . . 25.0 115.348 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 p -129.52 -1.7 4.92 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 -172.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -60.25 110.13 1.16 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.516 0.191 . . . . 25.0 111.516 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 59.97 4.85 0.66 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.647 1.579 . . . . 25.0 113.901 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -64.63 -28.8 69.87 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.69 -12.95 62.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.92 -37.22 4.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.402 . . . . 25.0 110.844 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.96 -35.94 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.57 0.582 . . . . 25.0 112.57 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -123.9 153.52 67.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -71.02 171.6 15.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 116.553 -1.832 . . . . 25.0 108.432 163.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.8 81.71 2.67 Favored Pre-proline 0 N--CA 1.472 0.636 0 O-C-N 121.829 -0.544 . . . . 25.0 111.789 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.41 164.88 33.03 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 118.07 -0.82 . . . . 25.0 111.269 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.32 -20.02 66.19 Favored 'Trans proline' 0 C--N 1.349 0.587 0 N-CA-C 114.282 0.839 . . . . 25.0 114.282 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -69.01 -44.97 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.11 0.481 . . . . 25.0 110.959 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.73 -21.33 41.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.784 -0.573 . . . . 25.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.67 -30.19 71.33 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.0 88.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 25.0 110.325 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.91 -45.35 89.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -65.32 -38.48 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.504 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.68 70.51 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.265 0.468 . . . . 25.0 112.265 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.04 -35.71 81.14 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.73 -39.84 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.285 -0.265 . . . . 25.0 110.285 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -62.24 -34.94 77.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.13 0.491 . . . . 25.0 111.169 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.58 -31.6 65.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.948 0.404 . . . . 25.0 110.341 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -72.16 -25.35 61.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.702 0.287 . . . . 25.0 111.363 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.59 -30.54 70.85 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.604 -0.685 . . . . 25.0 110.462 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -68.23 -26.56 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.5 mt -73.09 -38.16 66.5 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.717 -0.614 . . . . 25.0 109.642 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.39 -40.08 77.44 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -66.64 -3.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -176.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -63.46 -23.06 67.24 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 120.826 -1.171 . . . . 25.0 109.703 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -11.49 14.5 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 174.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -27.78 69.25 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.399 -0.813 . . . . 25.0 109.394 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.24 -46.28 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.63 -39.33 87.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.287 1.041 . . . . 25.0 109.921 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.5 -7.65 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.516 -1.22 . . . . 25.0 111.887 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 50.11 40.84 22.63 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.033 0.933 . . . . 25.0 110.244 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.79 56.17 2.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.215 -0.902 . . . . 25.0 113.375 -174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -46.93 -49.51 49.1 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.255 1.576 . . . . 25.0 115.255 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.96 -8.82 14.36 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 114.614 -3.124 . . . . 25.0 115.404 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -91.22 -37.97 12.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.29 -40.37 74.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.52 -27.95 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -94.86 -52.86 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.869 0.366 . . . . 25.0 110.54 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -61.51 -42.82 99.38 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.641 1.349 . . . . 25.0 114.641 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.53 84.7 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.959 -0.697 . . . . 25.0 109.907 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -74.04 -27.45 60.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.215 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.32 -50.61 70.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 118.464 0.575 . . . . 25.0 109.986 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -68.04 -39.05 83.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.191 0.52 . . . . 25.0 110.799 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.04 72.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.566 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.4 m -57.85 -37.03 73.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.866 -0.521 . . . . 25.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -63.68 -40.51 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.011 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -42.29 99.76 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -41.21 90.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.507 -0.315 . . . . 25.0 111.208 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.78 -46.0 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.1 -44.21 85.04 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.617 -0.433 . . . . 25.0 110.65 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.8 tp -66.09 -34.91 79.14 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.08 -0.388 . . . . 25.0 110.895 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -60.65 -30.46 69.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.18 0.514 . . . . 25.0 109.994 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -77.22 -44.76 28.83 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.97 -0.456 . . . . 25.0 109.991 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.98 -42.6 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.18 -22.12 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.395 0.517 . . . . 25.0 112.395 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.0 m -74.77 -24.62 58.71 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.032 -0.418 . . . . 25.0 110.712 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.28 -32.76 14.2 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG3' ' HD2' ' A' ' 97' ' ' PRO . 12.7 tptt -61.26 153.02 70.22 Favored Pre-proline 0 C--O 1.244 0.78 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 96' ' ' LYS . 42.0 Cg_endo -60.86 153.15 65.15 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 115.545 -2.503 . . . . 25.0 111.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.07 -19.82 66.18 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 116.118 1.896 . . . . 25.0 116.118 -163.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -76.07 -44.02 40.9 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.58 170.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.27 -33.12 75.1 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.741 -0.6 . . . . 25.0 110.001 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -55.32 -38.37 68.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -42.74 46.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 t -63.48 -47.57 81.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.061 0.458 . . . . 25.0 111.346 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.25 -37.16 86.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 122.044 -0.41 . . . . 25.0 111.692 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -64.3 -36.41 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.811 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -70.86 -36.75 72.97 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.561 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.77 -36.51 84.55 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -60.82 -46.5 90.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -37.61 80.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.565 -0.709 . . . . 25.0 111.685 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.86 -40.45 96.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.354 0.597 . . . . 25.0 110.575 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.22 -42.71 93.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 25.0 109.946 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.44 -25.88 51.01 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.538 -0.465 . . . . 25.0 112.224 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 t -64.87 -45.55 85.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.8 p -71.54 -24.46 61.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.357 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.02 -45.55 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.71 -29.08 66.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -67.29 -40.09 86.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.77 -0.581 . . . . 25.0 109.715 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -36.13 81.83 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.463 0.649 . . . . 25.0 109.953 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -45.87 86.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.832 176.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -67.17 -34.54 77.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.679 -0.638 . . . . 25.0 110.899 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.19 82.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.203 0.525 . . . . 25.0 110.551 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -65.07 -33.04 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.935 -0.306 . . . . 25.0 110.874 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.9 tp -86.21 -0.89 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.941 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 64.0 28.84 14.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.83 1.252 . . . . 25.0 113.766 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.2 t -100.29 108.41 52.48 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.01 -31.26 30.92 Favored 'Trans proline' 0 C--O 1.21 -0.91 0 C-N-CA 115.528 -2.515 . . . . 25.0 112.503 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.7 m -63.0 -38.15 90.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 25.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -69.63 -38.87 77.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.45 96.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.956 -0.465 . . . . 25.0 109.783 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.66 -39.31 93.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 25.0 110.845 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -57.55 -44.68 85.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.916 0.389 . . . . 25.0 110.848 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -86.23 -13.59 46.4 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.786 -0.366 . . . . 25.0 111.538 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.13 78.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.25 -40.39 98.93 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.204 -0.998 . . . . 25.0 111.619 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.86 -46.82 83.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.653 -0.322 . . . . 25.0 111.741 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 p -66.91 -37.49 84.45 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.441 -0.503 . . . . 25.0 110.999 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.94 -44.69 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 118.742 0.701 . . . . 25.0 109.584 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.1 t -61.97 -43.0 99.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.919 0.39 . . . . 25.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -36.64 83.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.881 0.372 . . . . 25.0 111.74 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.478 HG23 ' HB1' ' A' ' 56' ' ' ALA . 35.9 mt -63.73 -37.86 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -64.73 -42.32 95.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.246 -0.284 . . . . 25.0 111.446 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.74 -43.97 97.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.757 0.789 . . . . 25.0 111.168 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.18 -34.65 67.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -39.11 87.27 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 122.033 -0.417 . . . . 25.0 111.592 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.84 89.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.86 0.362 . . . . 25.0 110.186 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -75.32 -22.38 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.779 -0.368 . . . . 25.0 111.789 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.01 -9.26 58.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 118.735 -0.65 . . . . 25.0 111.336 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.171 -1.905 . . . . 25.0 115.232 179.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 119.778 -0.153 . . . . 25.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.07 60.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.505 0.503 . . . . 25.0 109.786 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -140.72 153.75 68.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -67.06 130.24 22.43 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 117.417 -1.255 . . . . 25.0 112.198 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -161.34 143.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.38 117.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 105.521 -2.029 . . . . 25.0 105.521 174.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.15 133.85 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.178 -1.416 . . . . 25.0 107.178 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.63 -122.58 8.52 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.02 165.41 32.86 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 119.628 1.714 . . . . 25.0 112.371 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -68.39 162.32 41.08 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 117.272 -1.352 . . . . 25.0 110.945 175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.08 154.5 74.29 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 117.098 -1.468 . . . . 25.0 112.613 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.37 161.85 41.65 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.961 -0.893 . . . . 25.0 112.612 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.17 -35.29 76.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.255 0.55 . . . . 25.0 109.863 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -86.62 43.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.196 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.86 -161.96 34.58 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 116.143 -0.481 . . . . 25.0 112.013 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.78 156.27 28.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 106.114 -2.794 . . . . 25.0 106.114 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 mt 69.52 158.07 0.15 Allowed Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.89 1.276 . . . . 25.0 109.187 -174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.67 156.84 60.17 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 113.554 -3.831 . . . . 25.0 113.564 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.73 -25.45 0.11 Allowed Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.565 -0.743 . . . . 25.0 113.881 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -100.1 -19.48 16.46 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.704 0.764 . . . . 25.0 110.136 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -102.05 176.86 5.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -120.33 175.31 6.02 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 122.194 -0.316 . . . . 25.0 110.512 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m 78.0 -36.33 0.21 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.562 1.545 . . . . 25.0 114.126 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -119.44 8.04 11.29 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.441 0.639 . . . . 25.0 110.606 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -48.01 -32.42 6.57 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.251 1.945 . . . . 25.0 116.251 -173.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.84 52.01 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.69 -1.226 . . . . 25.0 107.69 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -124.71 74.94 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.6 0.714 . . . . 25.0 112.689 -170.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -68.68 89.53 0.38 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.764 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.35 -178.35 38.43 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 116.061 1.185 . . . . 25.0 116.061 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.2 p -137.36 159.48 41.81 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -127.41 81.22 70.48 Favored Pre-proline 0 N--CA 1.469 0.477 0 C-N-CA 122.577 0.351 . . . . 25.0 110.142 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.3 146.48 35.82 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 117.347 -1.302 . . . . 25.0 114.423 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -136.79 27.62 2.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 122.31 1.052 . . . . 25.0 108.379 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -133.63 -178.43 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.5 tptt 63.58 98.11 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.489 1.115 . . . . 25.0 111.474 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 61.31 3.98 0.85 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.536 1.68 . . . . 25.0 115.536 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -58.32 -29.69 66.11 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 122.02 -0.425 . . . . 25.0 110.045 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -71.27 -14.79 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -112.95 -39.16 4.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.736 0.303 . . . . 25.0 111.111 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.13 -35.06 75.98 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.067 -0.346 . . . . 25.0 110.067 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -123.75 147.83 54.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.569 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.1 177.03 7.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 O-C-N 121.762 0.348 . . . . 25.0 111.29 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.49 57.45 0.53 Allowed Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -69.94 165.15 32.13 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 114.921 -2.92 . . . . 25.0 109.575 173.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -65.26 -17.5 58.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.571 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.49 -44.25 71.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.889 0.376 . . . . 25.0 110.918 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -74.2 -27.35 60.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.639 -0.663 . . . . 25.0 109.838 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.3 72.44 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.31 73.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.373 0.606 . . . . 25.0 110.313 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -73.09 -36.16 66.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.343 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -70.5 -39.44 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.5 90.79 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -65.2 -27.33 68.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.724 -0.791 . . . . 25.0 111.489 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.46 -44.99 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -60.96 -37.55 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.206 0.526 . . . . 25.0 110.817 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -68.74 -33.52 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 25.0 110.828 177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 t -70.24 -30.92 68.11 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.325 -0.234 . . . . 25.0 111.167 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.27 -30.54 71.59 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.834 -0.541 . . . . 25.0 110.933 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.1 mt -67.77 -28.93 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.193 -0.299 . . . . 25.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.86 -22.89 67.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.443 -0.786 . . . . 25.0 111.16 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -70.82 -5.22 28.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.65 -19.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -59.8 -27.49 66.62 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.354 -0.841 . . . . 25.0 110.822 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -74.16 -13.3 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -76.44 -26.34 55.36 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.59 -0.694 . . . . 25.0 109.595 176.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' A' ' 65' ' ' PHE . 28.6 mm -59.96 -45.68 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.4 -45.8 89.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.701 0.762 . . . . 25.0 110.952 177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -70.95 -10.8 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.008 1.114 . . . . 25.0 114.008 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 52.44 30.64 8.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.811 0.815 . . . . 25.0 111.793 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 73' ' ' SER . . . -81.45 58.78 3.79 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -172.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -45.19 -55.2 11.97 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 115.549 1.685 . . . . 25.0 115.549 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -23.09 8.48 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.51 -3.86 . . . . 25.0 114.936 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.4 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 20.4 t -76.62 -24.96 53.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.087 -0.383 . . . . 25.0 111.407 -175.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.67 -40.17 94.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.689 0.28 . . . . 25.0 110.809 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.4 -37.46 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.58 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -78.02 -58.36 3.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.48 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.67 -47.28 81.85 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.55 -38.69 91.88 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.918 -0.489 . . . . 25.0 111.012 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.59 -25.98 60.6 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.14 -46.62 67.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -60.92 -41.5 96.29 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.701 0.762 . . . . 25.0 109.387 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.56 96.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.253 -0.885 . . . . 25.0 110.515 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 p -63.15 -38.85 92.79 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.486 -0.759 . . . . 25.0 111.244 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -62.73 -44.84 95.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.365 -0.606 . . . . 25.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.85 -38.45 90.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 25.0 110.623 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -41.47 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.9 -45.87 84.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.908 -0.317 . . . . 25.0 110.343 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -62.33 -48.66 78.83 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -35.88 80.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -64.35 -24.23 67.57 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.439 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -82.84 -45.38 14.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.16 -42.36 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -61.82 -15.81 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 114.154 1.168 . . . . 25.0 114.154 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.2 m -81.33 -11.45 59.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.13 95.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.474 0.654 . . . . 25.0 109.726 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.38 83.46 43.66 Favored Pre-proline 0 N--CA 1.467 0.415 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.82 28.9 0.28 Allowed 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.146 1.897 . . . . 25.0 116.289 -173.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -116.28 -114.17 0.34 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.564 -0.71 . . . . 25.0 111.497 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.02 -42.74 89.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.539 0.608 . . . . 25.0 111.872 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -61.08 -37.37 82.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.686 -0.233 . . . . 25.0 110.51 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -63.95 -36.14 82.99 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 122.031 -0.418 . . . . 25.0 110.58 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -72.56 -50.84 22.84 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.115 -0.365 . . . . 25.0 110.092 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -48.17 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.08 0.467 . . . . 25.0 110.943 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.2 -41.14 97.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 119.015 -0.517 . . . . 25.0 112.124 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -70.37 -30.69 67.69 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.622 1.101 . . . . 25.0 111.836 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.09 -41.74 85.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.74 -40.08 88.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.695 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.8 m -59.27 -36.07 74.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 t -74.45 -45.0 49.19 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.337 -0.852 . . . . 25.0 111.212 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HB3' HD21 ' A' ' 140' ' ' ASN . 54.4 mtpt -58.36 -48.47 80.49 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.093 0.473 . . . . 25.0 111.72 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.01 -45.06 91.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.53 0.681 . . . . 25.0 110.009 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.48 -24.44 60.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.862 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -68.39 -39.11 81.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -70.42 -31.97 69.39 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.9 -0.32 . . . . 25.0 110.269 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.14 -43.09 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 120.841 0.353 . . . . 25.0 110.165 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.25 -38.38 90.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.512 0.672 . . . . 25.0 109.572 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.3 -32.32 70.04 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.512 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.52 -40.78 96.24 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -40.55 92.34 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.081 0.467 . . . . 25.0 110.168 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -70.72 -32.37 69.54 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 120.86 -1.15 . . . . 25.0 112.724 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.9 74.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.6 . . . . 25.0 109.567 173.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.61 72.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 25.0 110.236 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.96 -34.36 77.8 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.143 -0.348 . . . . 25.0 110.566 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -85.32 -0.96 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 120.993 0.425 . . . . 25.0 110.23 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 64.94 32.97 10.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.103 1.361 . . . . 25.0 113.657 172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.1 m -98.95 97.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 176.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -67.65 -35.34 22.56 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 115.653 -2.432 . . . . 25.0 114.058 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.249 0.547 . . . . 25.0 111.377 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -81.5 -34.11 31.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.54 89.52 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.06 -34.93 79.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.055 0.455 . . . . 25.0 110.908 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.73 -45.31 93.32 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.679 0.276 . . . . 25.0 110.296 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -74.28 -28.86 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.232 -0.293 . . . . 25.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.14 92.76 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.545 -0.836 . . . . 25.0 112.132 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.56 -42.18 87.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.379 -0.483 . . . . 25.0 110.567 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.5 p -66.72 -35.74 80.83 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 118.875 -0.583 . . . . 25.0 111.329 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.22 -46.26 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 118.993 0.815 . . . . 25.0 109.076 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.2 t -61.8 -47.11 86.58 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.464 HD21 ' HB3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -66.03 -35.63 81.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -177.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.582 HG23 ' HB1' ' A' ' 56' ' ' ALA . 40.3 mt -64.77 -39.29 85.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -65.79 -40.56 92.07 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.309 -0.244 . . . . 25.0 111.003 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.11 -39.19 89.07 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.727 0.298 . . . . 25.0 111.665 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.92 -37.84 69.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -41.75 96.27 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -171.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.45 55.31 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -103.17 -13.57 16.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.53 0.205 . . . . 25.0 110.953 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.42 -33.85 23.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 106.26 -2.736 . . . . 25.0 106.26 -170.028 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.475 -0.298 . . . . 25.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.14 42.2 16.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -157.9 112.55 1.78 Allowed Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.28 145.93 44.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.037 -2.175 . . . . 25.0 111.654 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.33 131.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.423 -2.065 . . . . 25.0 105.423 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.58 149.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.65 132.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.227 -1.398 . . . . 25.0 107.227 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.47 173.77 50.0 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.159 -0.543 . . . . 25.0 111.889 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.51 155.5 36.08 Favored 'Trans proline' 0 C--O 1.236 0.42 0 CA-C-N 118.506 1.153 . . . . 25.0 112.799 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -71.74 159.06 51.84 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 117.137 -1.442 . . . . 25.0 110.742 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.74 142.71 58.94 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 116.079 -2.148 . . . . 25.0 111.509 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.61 141.59 42.12 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 116.127 -2.115 . . . . 25.0 113.184 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt 52.68 28.58 6.37 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 m -140.61 147.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.65 -62.93 4.54 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 115.33 0.892 . . . . 25.0 115.33 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.88 179.63 29.33 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.102 -0.571 . . . . 25.0 112.284 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.76 172.16 6.5 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 104.604 -2.369 . . . . 25.0 104.604 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.6 146.38 84.34 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 115.52 -2.52 . . . . 25.0 115.497 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.07 -162.56 52.75 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.5 -0.773 . . . . 25.0 112.152 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -103.89 34.17 3.13 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 45.32 24.83 0.17 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.73 28.12 1.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.723 -0.61 . . . . 25.0 110.436 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -109.59 137.6 47.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.262 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.5 -24.94 60.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -104.91 89.4 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.3 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.99 92.88 2.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -156.26 140.29 16.36 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.51 159.73 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.727 0.298 . . . . 25.0 111.307 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -159.79 19.75 Favored Glycine 0 C--O 1.222 -0.616 0 C-N-CA 121.088 -0.577 . . . . 25.0 114.256 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.49 102.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.8 mt -133.16 128.89 20.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -80.84 -156.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 N-CA-C 109.13 -1.142 . . . . 25.0 109.13 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.99 128.1 34.78 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 p -125.43 -174.74 3.14 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.316 -1.365 . . . . 25.0 107.316 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 69.48 139.42 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.91 1.284 . . . . 25.0 112.038 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 51.86 39.27 25.46 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.97 0.89 . . . . 25.0 112.31 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -54.56 -21.93 11.72 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -65.56 -24.81 67.19 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.018 -0.426 . . . . 25.0 111.698 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -113.08 10.37 18.72 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 121.431 0.634 . . . . 25.0 111.423 -174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mp -77.83 1.92 18.84 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.711 -0.677 . . . . 25.0 112.132 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.14 156.81 1.69 Allowed Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 123.909 0.884 . . . . 25.0 111.768 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -65.82 149.7 86.5 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 116.78 -1.68 . . . . 25.0 113.826 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -125.98 159.88 59.61 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.89 160.24 42.1 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 116.989 -1.541 . . . . 25.0 109.658 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -63.92 -18.67 64.75 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 117.409 -1.261 . . . . 25.0 115.147 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 p -67.11 -42.12 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.083 0.468 . . . . 25.0 111.268 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.55 -21.64 19.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.85 -14.44 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.89 -36.77 68.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 173.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.93 -40.99 99.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.63 0.252 . . . . 25.0 111.032 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -65.8 -42.75 90.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.41 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 25.0 111.146 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -62.12 -42.01 98.8 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.142 -0.349 . . . . 25.0 110.704 177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.2 -41.66 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.8 m -61.66 -33.05 73.29 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.275 0.56 . . . . 25.0 111.153 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 141' ' ' ILE . . . -72.65 -32.31 65.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.257 -0.428 . . . . 25.0 111.013 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -67.46 -23.34 65.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 81' ' ' ARG . 79.9 mm-40 -60.93 -33.26 72.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.738 0.78 . . . . 25.0 110.356 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.26 -25.63 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.835 . . . . 25.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.9 -24.03 66.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.248 -0.907 . . . . 25.0 112.687 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -96.58 -0.03 49.29 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -11.45 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -61.61 -21.34 64.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.721 0.637 . . . . 25.0 112.721 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -54.87 -35.67 64.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.908 0.385 . . . . 25.0 111.535 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.17 -26.58 67.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.601 -0.687 . . . . 25.0 112.807 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.2 mm -71.91 -43.35 68.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -69.59 -34.02 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.277 0.56 . . . . 25.0 110.368 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -72.6 -11.59 60.71 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.158 -0.473 . . . . 25.0 111.453 174.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 55.89 33.4 21.56 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.288 1.042 . . . . 25.0 109.491 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.11 61.31 6.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.834 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.77 -46.5 72.77 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.77 -9.5 21.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 114.752 -3.032 . . . . 25.0 115.037 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -92.44 -33.14 14.64 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.002 -0.436 . . . . 25.0 110.476 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 119' ' ' ASP . 3.0 tm? -59.99 -50.69 72.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -58.56 -25.29 62.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -84.62 -65.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 25.0 111.097 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.46 -38.57 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -48.22 76.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -68.82 -34.6 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.586 -0.445 . . . . 25.0 111.428 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.72 -50.98 64.81 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.288 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLU . 93.7 mtt-85 -68.0 -32.91 73.63 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.759 -177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.18 93.55 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.695 -0.402 . . . . 25.0 110.067 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -64.81 -37.71 88.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.342 -0.849 . . . . 25.0 111.328 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 -37.44 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.492 -0.483 . . . . 25.0 110.266 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.8 -40.8 96.49 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.997 -0.44 . . . . 25.0 110.275 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -60.96 -39.61 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -43.19 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -67.79 -48.3 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.577 0.703 . . . . 25.0 109.299 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.41 -29.75 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 25.0 111.813 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -54.73 -33.52 61.24 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.835 0.35 . . . . 25.0 111.687 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -83.41 -45.8 13.26 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.451 -0.574 . . . . 25.0 109.451 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.04 -37.82 70.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -61.16 -19.29 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.526 -0.734 . . . . 25.0 112.832 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 m -81.9 -4.28 56.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.06 89.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.248 0.547 . . . . 25.0 110.252 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.06 81.92 60.57 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -71.17 5.56 2.19 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 N-CA-C 117.299 2.0 . . . . 25.0 117.299 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -90.35 -132.06 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.992 -0.443 . . . . 25.0 112.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.63 -26.38 66.2 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.587 -0.695 . . . . 25.0 111.637 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.16 -39.0 91.16 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.86 174.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.55 -39.4 84.99 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -60.46 -48.78 80.27 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.0 t -65.58 -39.23 91.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.441 . . . . 25.0 110.732 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.17 -41.06 95.01 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.494 -0.754 . . . . 25.0 110.585 176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -67.46 -38.36 84.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -71.04 -31.57 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.724 -0.79 . . . . 25.0 109.945 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.5 -36.28 71.04 Favored 'General case' 0 C--O 1.22 -0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 110.257 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -60.31 -35.67 76.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -72.89 -44.29 61.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.397 -0.814 . . . . 25.0 110.93 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.62 -44.76 90.05 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.976 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 141' ' ' ILE . 9.0 tt -59.12 -46.69 87.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.437 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -74.46 -17.51 60.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -174.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -65.43 -43.87 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -66.4 -33.01 74.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 25.0 111.183 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.92 -46.99 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.31 -34.67 76.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.253 0.549 . . . . 25.0 111.431 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.44 -39.01 78.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.452 -0.34 . . . . 25.0 111.046 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.51 -47.15 82.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 174.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -67.77 -35.96 79.64 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.742 -0.783 . . . . 25.0 111.813 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.53 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.979 0.418 . . . . 25.0 110.302 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.1 76.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.112 0.482 . . . . 25.0 109.728 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -65.04 -32.37 74.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.6 tp -84.39 1.01 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.904 0.383 . . . . 25.0 110.014 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 65.3 30.38 11.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.077 1.351 . . . . 25.0 113.208 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.5 m -100.65 97.33 6.49 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.38 -40.41 18.97 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 116.337 -1.975 . . . . 25.0 114.501 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.4 m -61.59 -37.12 82.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.369 0.604 . . . . 25.0 111.586 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.07 -43.85 77.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.492 -0.559 . . . . 25.0 109.492 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.03 85.83 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.613 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.83 -37.04 83.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.513 0.197 . . . . 25.0 111.25 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -66.6 -43.95 83.47 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.866 -0.521 . . . . 25.0 109.79 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -67.52 -31.91 72.35 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.313 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -64.53 -42.19 95.9 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.867 -0.521 . . . . 25.0 110.08 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.91 98.15 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.471 -0.871 . . . . 25.0 111.514 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.92 -36.5 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.179 -0.6 . . . . 25.0 109.885 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 m -64.31 -43.97 93.07 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 110.117 -0.327 . . . . 25.0 110.117 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.07 -44.0 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 t -63.58 -41.34 98.37 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 120.83 0.348 . . . . 25.0 110.754 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -65.91 -39.66 90.79 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.55 HG23 ' HB1' ' A' ' 56' ' ' ALA . 9.0 mm -63.31 -45.12 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.42 -41.53 89.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.63 -44.38 97.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.133 0.492 . . . . 25.0 111.959 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.49 -34.04 60.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.07 -37.16 80.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.229 -0.295 . . . . 25.0 110.772 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.81 74.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.802 0.334 . . . . 25.0 110.996 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.14 -14.37 60.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.147 -0.346 . . . . 25.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.7 mt -113.27 16.11 19.14 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.698 0.399 . . . . 25.0 111.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.397 -1.779 . . . . 25.0 113.363 -176.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 110.651 -0.129 . . . . 25.0 110.651 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.04 167.49 26.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -148.46 146.74 23.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.52 94.81 1.06 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 N-CA-C 113.842 0.67 . . . . 25.0 113.842 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -156.02 143.6 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -126.0 109.41 21.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 103.142 -2.91 . . . . 25.0 103.142 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.73 151.03 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -175.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -113.36 -58.93 0.41 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.505 -0.608 . . . . 25.0 112.959 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 89.2 Cg_endo -73.0 167.79 26.44 Favored 'Trans proline' 0 C--N 1.35 0.643 0 CA-C-N 119.245 1.523 . . . . 25.0 112.023 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 159.26 52.4 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 116.703 -1.731 . . . . 25.0 110.943 175.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.35 157.51 61.39 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 117.955 -0.897 . . . . 25.0 112.714 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -70.42 163.3 39.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 CA-C-O 121.52 0.55 . . . . 25.0 113.415 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -17.4 64.86 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 t -150.35 148.75 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.53 -175.55 19.27 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 109.3 -1.52 . . . . 25.0 109.3 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.04 -175.9 35.94 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp 64.98 161.03 0.12 Allowed Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 124.695 1.198 . . . . 25.0 112.15 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.09 148.82 70.27 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.395 -3.27 . . . . 25.0 110.825 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -161.35 -166.89 20.97 Favored Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 t -64.84 -4.32 4.3 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.743 1.386 . . . . 25.0 114.743 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -157.51 133.09 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 t -79.68 -40.45 29.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.511 1.671 . . . . 25.0 115.511 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.4 20.49 2.4 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -171.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -57.83 -39.54 77.9 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 44.62 4.21 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.343 0.592 . . . . 25.0 111.497 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.31 93.39 1.9 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.21 -172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 t0 67.35 173.81 0.26 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.833 1.253 . . . . 25.0 109.715 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.71 25.85 66.45 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 108.887 -1.685 . . . . 25.0 108.887 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -60.49 136.67 58.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -0.691 . . . . 25.0 111.133 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.6 158.44 74.28 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.78 -174.16 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 N-CA-C 113.805 0.656 . . . . 25.0 113.805 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -46.96 -49.36 20.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.873 0.469 . . . . 25.0 111.302 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m 64.52 -48.55 0.31 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 116.127 1.899 . . . . 25.0 116.127 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -63.68 -18.72 64.27 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 124.188 0.995 . . . . 25.0 109.774 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -58.62 -20.44 47.5 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.229 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -26.94 68.73 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.391 -0.818 . . . . 25.0 111.731 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.04 -16.62 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.185 -0.322 . . . . 25.0 110.804 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -119.37 24.65 10.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.695 0.798 . . . . 25.0 109.884 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.48 1.64 21.61 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -69.43 164.64 47.68 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.08 132.94 38.72 Favored 'Trans proline' 0 C--N 1.351 0.669 1 C-N-CA 113.187 -4.075 . . . . 25.0 109.702 172.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.78 153.16 66.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.667 -0.864 . . . . 25.0 108.667 -172.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -69.2 160.49 49.64 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 116.783 -1.678 . . . . 25.0 111.536 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -63.64 -18.74 65.54 Favored 'Trans proline' 0 C--N 1.345 0.371 0 N-CA-C 114.378 0.876 . . . . 25.0 114.378 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -68.62 -42.84 77.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.944 0.402 . . . . 25.0 110.634 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -78.31 -26.04 46.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.036 -0.415 . . . . 25.0 110.973 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.65 -20.23 65.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.325 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.57 70.98 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.153 -0.342 . . . . 25.0 110.654 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.09 -47.57 84.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.84 -42.87 98.64 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.477 0.656 . . . . 25.0 109.678 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.07 70.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.425 -0.807 . . . . 25.0 112.401 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -71.05 -25.73 62.77 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.968 -1.083 . . . . 25.0 112.634 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.06 -44.92 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.77 -0.581 . . . . 25.0 110.558 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.1 p -70.12 -26.09 63.8 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.293 -0.879 . . . . 25.0 111.705 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.74 75.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 174.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -68.06 -27.58 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.915 -0.491 . . . . 25.0 111.246 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.53 -29.82 69.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.616 0.722 . . . . 25.0 112.019 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.23 -29.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.067 -0.515 . . . . 25.0 109.697 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.83 -25.61 67.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.494 -0.753 . . . . 25.0 110.461 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.7 -0.09 16.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.251 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.98 -19.42 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.648 -0.657 . . . . 25.0 112.582 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -22.92 63.45 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.432 -0.793 . . . . 25.0 111.739 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.47 -37.71 76.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.099 -0.375 . . . . 25.0 111.784 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -29.47 69.8 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.206 -0.309 . . . . 25.0 111.629 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.86 -38.96 80.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -83.08 -26.13 31.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.1 -24.52 55.0 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.408 -0.808 . . . . 25.0 111.581 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptt 53.03 33.2 14.32 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.22 1.008 . . . . 25.0 111.994 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.21 5.74 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.917 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -43.97 -54.27 11.5 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.64 -19.81 8.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 113.4 -3.934 . . . . 25.0 115.158 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 t -76.39 -24.74 54.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -170.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.31 -28.48 66.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -52.97 -41.93 65.04 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.41 0.624 . . . . 25.0 110.162 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -79.73 -54.17 6.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.675 0.75 . . . . 25.0 109.788 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.26 -38.66 84.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.997 -1.001 . . . . 25.0 113.285 -168.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.83 -48.97 10.92 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.939 -0.476 . . . . 25.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -68.26 -28.44 67.21 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 113.148 0.795 . . . . 25.0 113.148 -172.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.81 -49.52 74.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.104 0.866 . . . . 25.0 110.967 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -68.24 -35.43 77.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 25.0 110.005 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.92 -32.18 73.53 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.444 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 m -66.02 -38.94 89.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.54 -0.725 . . . . 25.0 110.957 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.42 -43.77 98.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 120.921 0.391 . . . . 25.0 110.68 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -58.0 -42.45 85.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.579 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -71.03 -48.69 51.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.41 -37.71 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.116 -0.634 . . . . 25.0 111.297 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.53 -35.21 79.72 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.804 -0.56 . . . . 25.0 110.225 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -60.52 -26.65 67.01 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.817 0.303 . . . . 25.0 111.817 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -82.25 -45.95 14.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.2 -41.11 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 pt -60.69 -20.11 20.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 t -59.14 -39.26 81.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.106 0.412 . . . . 25.0 112.036 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.87 -25.49 48.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -65.87 146.42 99.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.69 168.35 20.3 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 117.955 -0.896 . . . . 25.0 112.589 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -34.49 -54.68 0.53 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 116.853 2.168 . . . . 25.0 116.853 -173.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -84.51 -34.34 23.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.553 0.945 . . . . 25.0 113.553 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.44 -36.0 82.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.603 -0.686 . . . . 25.0 110.053 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.21 -33.88 69.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.808 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -79.56 -41.59 26.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.494 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.9 t -66.43 -44.71 82.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.819 0.343 . . . . 25.0 111.167 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.94 -35.83 77.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.236 -0.915 . . . . 25.0 109.612 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -37.69 85.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.93 -33.89 64.12 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.341 -0.943 . . . . 25.0 110.172 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.32 -41.38 98.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.7 m -59.27 -38.35 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -73.59 -46.42 47.29 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.497 -0.752 . . . . 25.0 111.206 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.66 -44.26 93.63 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.063 0.545 . . . . 25.0 111.637 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 141' ' ' ILE . 5.9 tt -64.12 -45.69 87.47 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.145 -0.48 . . . . 25.0 110.629 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -73.46 -24.37 60.21 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.732 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 t -67.12 -41.03 86.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.1 m -67.01 -32.69 74.09 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.426 -0.352 . . . . 25.0 110.546 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.52 -42.1 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.92 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.887 0.375 . . . . 25.0 110.215 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.33 -37.38 83.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.187 -0.301 . . . . 25.0 110.187 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.97 -42.99 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.51 0.324 . . . . 25.0 110.275 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.4 -37.59 85.58 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.109 -0.369 . . . . 25.0 110.445 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.35 -41.67 98.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.891 -1.131 . . . . 25.0 110.162 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.24 83.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 25.0 110.137 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.77 70.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.708 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -69.35 -26.85 64.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.26 -0.275 . . . . 25.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.2 tp -90.27 13.86 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-O 121.631 0.729 . . . . 25.0 110.074 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 50.73 40.11 23.5 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.5 m -107.66 85.87 2.59 Favored Pre-proline 0 C--O 1.239 0.548 0 CA-C-N 115.832 -0.622 . . . . 25.0 109.714 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -67.64 -26.77 39.24 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 116.218 -2.054 . . . . 25.0 114.167 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -32.7 74.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.609 0.719 . . . . 25.0 111.53 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.71 -31.95 28.27 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.16 -37.93 88.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.283 -0.261 . . . . 25.0 111.307 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -43.32 97.93 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.883 -0.511 . . . . 25.0 110.059 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -75.32 -24.22 57.38 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.621 -0.432 . . . . 25.0 111.531 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.4 -45.21 88.61 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.371 -0.974 . . . . 25.0 108.371 172.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.04 98.51 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.039 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -65.4 -43.12 91.61 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.307 -0.525 . . . . 25.0 111.503 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.9 p -70.2 -29.62 66.51 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 118.743 -0.646 . . . . 25.0 111.101 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.28 -45.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 119.454 1.024 . . . . 25.0 109.619 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.9 t -65.04 -48.06 75.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -36.0 79.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 111' ' ' LEU . 11.0 mm -66.92 -40.63 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.1 -41.39 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.763 0.316 . . . . 25.0 110.445 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.66 -40.05 95.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 111.464 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.23 -35.66 68.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -35.22 78.98 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.836 -0.54 . . . . 25.0 112.094 -175.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.55 73.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.39 -15.48 59.34 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.027 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 49.7 mt -83.99 3.03 36.14 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.412 0.285 . . . . 25.0 110.756 171.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.474 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 169.39 . . . . . . . . 0 0 . 1 stop_ save_