data_2k2v_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 2k2v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.916 0.865 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 119.026 -0.511 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.421 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.407 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.82 0.819 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.714 0.768 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 118.95 -0.547 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm . . . . . 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 122.196 0.998 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm . . . . . 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.411 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.441 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.475 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.4 158.66 42.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.992 1.317 . . . . 0.0 108.111 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -90.85 27.64 1.75 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.866 1.266 . . . . 0.0 112.122 -173.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 m -74.71 60.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 127.254 2.222 . . . . 0.0 111.027 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -143.43 114.32 7.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.566 1.147 . . . . 0.0 108.564 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -38.44 82.02 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.334 -0.229 . . . . 0.0 110.565 170.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -171.47 168.06 6.56 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 127.785 2.434 . . . . 0.0 106.049 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -64.97 -0.1 1.43 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.055 1.342 . . . . 0.0 113.497 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -53.18 -43.83 67.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 111.422 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -62.79 -48.18 80.23 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.71 -44.24 93.79 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 122.534 0.334 . . . . 0.0 110.225 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -68.48 -36.09 78.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.017 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -71.19 -34.02 70.5 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.774 1.624 . . . . 0.0 111.663 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.6 -53.16 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 169.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.51 -38.42 89.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.122 1.369 . . . . 0.0 112.75 -174.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -101.88 9.81 40.34 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.192 0.906 . . . . 0.0 112.063 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -146.82 -54.57 0.24 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.561 0.619 . . . . 0.0 111.5 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt -78.11 -42.48 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 -169.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.96 131.65 47.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -55.95 131.12 46.37 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -61.98 155.96 22.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 122.135 0.969 . . . . 0.0 110.806 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -72.56 -28.0 62.55 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.864 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -77.1 -45.63 26.32 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.691 0.678 . . . . 0.0 110.969 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.2 OUTLIER -157.3 -177.89 6.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 108.774 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 m -64.92 10.9 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.367 1.467 . . . . 0.0 113.727 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 55' ' ' THR . 4.5 p -70.91 -176.42 1.35 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.801 2.04 . . . . 0.0 109.855 173.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.22 134.97 64.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -114.39 96.02 5.56 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 170.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.26 -25.89 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.48 85.26 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.24 0.924 . . . . 0.0 113.485 -169.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.73 -48.97 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 CA-C-N 118.338 1.069 . . . . 0.0 113.911 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.8 -55.28 7.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.992 1.396 . . . . 0.0 110.509 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 49.85 21.03 0.63 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.999 2.119 . . . . 0.0 114.337 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.33 12.31 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.38 1.072 . . . . 0.0 111.736 -170.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -148.52 160.72 42.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 108.942 -177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.42 148.84 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.266 1.026 . . . . 0.0 108.959 -169.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -63.28 -31.61 72.8 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.88 27.48 7.42 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.681 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 59.4 170.84 0.07 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.686 2.394 . . . . 0.0 114.667 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -137.17 13.89 3.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.612 1.565 . . . . 0.0 111.149 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 124.512 1.125 . . . . 0.0 108.564 169.056 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.7 156.95 43.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.11 1.364 . . . . 0.0 108.552 175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -138.28 25.81 2.67 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.382 1.073 . . . . 0.0 111.143 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.31 -16.41 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.611 1.164 . . . . 0.0 112.603 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.3 135.87 49.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.744 1.217 . . . . 0.0 111.349 -173.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -65.69 -39.6 91.46 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.776 0.43 . . . . 0.0 111.162 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -172.52 156.02 3.56 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 127.158 2.183 . . . . 0.0 106.338 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.5 -25.06 34.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.486 1.114 . . . . 0.0 112.533 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -50.8 -38.97 51.48 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.564 1.145 . . . . 0.0 111.383 171.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -68.8 -44.2 74.07 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 121.424 -0.798 . . . . 0.0 109.803 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.58 -42.65 92.97 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.965 0.506 . . . . 0.0 109.776 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.85 -53.05 62.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.841 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -69.16 -32.63 72.1 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 119.537 1.062 . . . . 0.0 111.831 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.79 -54.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 120.21 1.368 . . . . 0.0 107.333 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.91 -45.49 92.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.273 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.3 p -97.02 -10.46 26.12 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.021 1.282 . . . . 0.0 114.187 -169.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.32 -14.12 3.83 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.209 0.913 . . . . 0.0 112.16 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.8 -47.42 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.546 1.067 . . . . 0.0 110.862 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -68.37 129.12 38.99 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -84.89 7.28 21.55 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -84.66 15.7 3.67 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.891 -1.131 . . . . 0.0 113.795 -169.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -70.69 -174.12 0.86 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 109.331 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.3 141.15 4.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.795 0.838 . . . . 0.0 110.573 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.3 m 53.85 -98.85 0.08 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -146.02 30.52 1.05 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.384 1.474 . . . . 0.0 109.422 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.3 p -72.22 162.28 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.3 -0.875 . . . . 0.0 110.441 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -82.22 138.76 18.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 O-C-N 121.453 -0.78 . . . . 0.0 109.008 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -123.15 150.71 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.77 -20.9 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.46 -29.74 4.64 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 121.04 -1.038 . . . . 0.0 113.942 -169.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.21 -30.68 3.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.883 1.23 . . . . 0.0 111.696 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -143.51 -177.84 5.59 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.865 2.066 . . . . 0.0 106.599 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -142.03 10.67 1.96 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.743 0.817 . . . . 0.0 111.389 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -150.41 24.33 0.8 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.027 0.931 . . . . 0.0 111.859 -169.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -141.67 157.6 44.86 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 109.868 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.16 147.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.017 1.327 . . . . 0.0 108.012 -170.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.88 -19.84 66.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.23 -16.18 49.79 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.353 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . 0.319 12.9 p90 41.8 -152.98 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.885 2.474 . . . . 0.0 113.933 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -128.78 -57.59 1.18 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.695 -169.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.732 -178.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.91 156.68 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.948 1.299 . . . . 0.0 108.527 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.56 25.82 2.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.468 -172.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -66.81 -26.26 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.75 1.22 . . . . 0.0 112.506 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.8 162.61 25.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.696 1.198 . . . . 0.0 112.388 -170.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.6 -45.7 91.69 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.815 0.846 . . . . 0.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -169.55 164.72 10.39 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.04 1.736 . . . . 0.0 107.017 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.23 -20.5 4.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.82 0.848 . . . . 0.0 112.899 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -43.4 -43.06 4.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.915 1.686 . . . . 0.0 111.101 169.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -66.22 -49.12 68.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.058 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.06 -39.91 93.95 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.199 0.599 . . . . 0.0 110.147 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -58.72 -53.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.747 0.819 . . . . 0.0 109.522 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -64.69 -34.99 79.61 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.169 0.441 . . . . 0.0 111.896 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.45 -55.71 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.23 -44.16 92.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.96 -0.543 . . . . 0.0 112.166 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 p -82.39 -9.86 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.623 1.101 . . . . 0.0 113.294 -169.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.96 -53.35 0.48 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 119.299 0.954 . . . . 0.0 111.907 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.76 -43.5 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.627 0.649 . . . . 0.0 109.763 -169.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -54.7 110.53 0.66 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -80.06 -11.34 59.78 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 118.64 0.655 . . . . 0.0 111.745 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -67.88 -12.18 60.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.53 141.89 56.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.226 0.921 . . . . 0.0 109.223 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 45.65 -132.79 0.95 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.98 1.312 . . . . 0.0 109.436 -174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -65.92 -59.85 3.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.565 1.146 . . . . 0.0 109.626 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 p -162.96 15.33 0.07 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.529 1.132 . . . . 0.0 111.607 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 p -72.46 144.84 47.94 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.23 -0.918 . . . . 0.0 110.204 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mm -69.31 142.85 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -133.67 145.34 49.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 169.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt -81.61 -22.65 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.0 94.59 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.122 0.868 . . . . 0.0 112.552 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.37 -28.25 0.04 OUTLIER Glycine 0 CA--C 1.528 0.851 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.472 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -83.24 35.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.611 1.705 . . . . 0.0 111.422 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.0 -22.65 64.73 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.143 1.377 . . . . 0.0 111.939 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.98 -11.67 30.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.321 1.449 . . . . 0.0 113.102 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -137.34 168.05 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.851 1.26 . . . . 0.0 110.037 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -134.24 155.67 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.325 1.45 . . . . 0.0 108.825 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.58 -17.33 59.86 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.83 43.58 73.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -55.83 157.12 4.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.36 1.464 . . . . 0.0 112.305 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -142.0 10.13 1.95 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.178 0.991 . . . . 0.0 112.096 -171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.21 1.804 . . . . 0.0 110.079 -169.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.93 7.21 4.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.888 1.275 . . . . 0.0 111.683 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m 57.34 26.3 12.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.151 1.38 . . . . 0.0 111.892 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.28 21.98 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.229 1.011 . . . . 0.0 109.844 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -50.89 -36.27 37.26 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 127.28 2.232 . . . . 0.0 112.238 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 tpt85 -57.77 -23.63 53.16 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.556 1.142 . . . . 0.0 113.399 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.48 2.84 3.5 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.74 1.155 . . . . 0.0 113.709 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.8 -27.15 39.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.572 1.149 . . . . 0.0 113.963 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -42.38 95.66 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.039 0.936 . . . . 0.0 111.577 172.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.2 -39.11 63.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.971 173.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.27 -42.3 81.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.574 1.534 . . . . 0.0 110.609 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -52.14 66.68 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.078 0.399 . . . . 0.0 110.099 174.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -62.26 -42.71 99.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.405 0.548 . . . . 0.0 110.751 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.28 -52.34 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.68 1.192 . . . . 0.0 108.094 174.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.49 -48.02 80.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.667 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -85.01 -21.64 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.204 0.911 . . . . 0.0 113.041 -172.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -118.7 -16.07 9.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -170.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -123.33 -40.63 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 119.766 1.166 . . . . 0.0 110.908 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.421 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -66.8 142.86 57.21 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.07 141.69 53.36 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.9 m -54.98 151.58 8.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.437 0.695 . . . . 0.0 111.17 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -61.02 -31.2 70.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.727 0.811 . . . . 0.0 112.876 -171.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -137.74 10.18 2.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -144.8 171.35 14.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.734 1.214 . . . . 0.0 109.052 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.3 m -82.67 -0.23 46.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.125 0.97 . . . . 0.0 112.723 178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 p -72.93 -173.33 1.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.0 mm -120.64 144.65 28.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -132.25 111.13 11.13 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.64 -26.31 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.15 -33.08 78.29 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.419 1.009 . . . . 0.0 113.68 -169.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.86 -50.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 CA-C-N 118.494 1.147 . . . . 0.0 114.089 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -76.49 -55.74 5.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.425 1.112 . . . . 0.0 111.646 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 48.62 25.66 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.975 1.71 . . . . 0.0 113.033 -170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.62 12.38 0.45 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -146.93 159.47 43.51 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.417 1.087 . . . . 0.0 108.77 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.53 150.44 30.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.282 1.033 . . . . 0.0 108.65 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.47 -26.55 66.88 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.21 32.48 2.78 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.732 0.682 . . . . 0.0 111.399 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.94 170.65 0.6 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.949 1.699 . . . . 0.0 114.441 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.58 -10.11 2.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.786 1.234 . . . . 0.0 112.553 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.28 1.832 . . . . 0.0 107.714 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.08 -26.27 48.82 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 53.36 29.55 8.9 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.83 1.252 . . . . 0.0 112.138 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 -19.09 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 125.882 1.673 . . . . 0.0 112.186 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -59.67 155.23 16.13 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.841 0.746 . . . . 0.0 111.269 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.89 -48.78 78.94 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.484 0.714 . . . . 0.0 110.294 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -170.47 174.86 4.97 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.839 2.056 . . . . 0.0 106.337 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.5 -11.42 1.96 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.337 1.455 . . . . 0.0 113.49 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -54.02 -42.71 69.41 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.842 1.201 . . . . 0.0 110.888 169.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -59.96 -43.97 94.71 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.224 0.61 . . . . 0.0 109.614 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -64.74 -39.15 93.15 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.081 0.4 . . . . 0.0 110.874 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -63.41 -43.66 96.87 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.49 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -63.27 -44.34 95.37 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.204 0.911 . . . . 0.0 110.766 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -55.75 -53.46 37.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.62 92.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.878 0.471 . . . . 0.0 111.341 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -85.62 -21.44 28.45 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -130.95 -6.83 3.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.0 -43.8 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 119.906 1.23 . . . . 0.0 110.304 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.41 120.08 9.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -67.55 129.81 41.07 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -146.41 -170.35 3.48 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.359 1.063 . . . . 0.0 111.074 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 65.12 7.32 4.02 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.419 1.888 . . . . 0.0 113.386 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 53.66 24.0 3.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.845 1.258 . . . . 0.0 111.767 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 p -132.78 17.75 4.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.238 1.415 . . . . 0.0 110.037 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m 53.94 27.08 6.89 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.78 1.632 . . . . 0.0 112.547 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 m -72.2 125.12 26.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -72.92 136.1 26.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.1 154.03 42.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.407 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.68 -23.46 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.57 93.38 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.178 0.894 . . . . 0.0 112.503 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.9 -28.34 0.04 OUTLIER Glycine 0 CA--C 1.527 0.791 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.283 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.79 36.22 0.54 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.277 1.538 . . . . 0.0 111.221 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.94 -22.49 64.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.012 1.325 . . . . 0.0 111.871 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.84 -10.73 30.47 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.362 1.465 . . . . 0.0 113.023 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.17 165.56 25.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.005 1.322 . . . . 0.0 109.812 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.01 151.32 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -79.96 -3.39 48.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.92 47.74 45.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.287 0.949 . . . . 0.0 111.202 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -55.75 161.89 1.97 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.644 1.177 . . . . 0.0 113.004 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -139.03 9.48 2.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.639 0.776 . . . . 0.0 112.393 -170.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.051 1.74 . . . . 0.0 109.703 -169.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 4' ' ' VAL . . . -76.5 58.84 1.39 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.901 1.28 . . . . 0.0 110.836 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -74.69 29.79 0.09 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.887 2.075 . . . . 0.0 112.165 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' ALA . 4.9 p -48.34 123.14 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.478 1.911 . . . . 0.0 111.376 -173.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 29.29 -103.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 129.384 3.074 . . . . 0.0 113.975 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 -65.56 -14.66 61.56 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 t70 37.68 -120.29 0.2 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.452 1.901 . . . . 0.0 112.345 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.13 -24.66 66.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.521 1.51 . . . . 0.0 113.784 -172.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -43.78 97.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.722 0.692 . . . . 0.0 109.813 176.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.77 -36.9 50.05 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.605 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.85 -39.65 92.6 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.283 0.947 . . . . 0.0 110.302 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.56 -44.26 94.65 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.987 0.515 . . . . 0.0 110.778 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -60.75 -48.87 79.85 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.772 -0.58 . . . . 0.0 110.608 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -53.01 -50.75 43.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 124.38 1.072 . . . . 0.0 109.02 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.12 -42.37 94.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.147 0.579 . . . . 0.0 111.258 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 p -87.07 -21.55 25.98 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -134.86 -2.97 2.57 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt -121.45 -43.55 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.733 1.152 . . . . 0.0 110.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -61.53 137.12 58.23 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.8 136.7 56.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.16 0.891 . . . . 0.0 108.645 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -64.03 159.11 20.85 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.023 0.916 . . . . 0.0 112.049 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -66.94 115.29 6.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 109.512 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 tttt 54.53 27.15 8.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.55 1.54 . . . . 0.0 113.173 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -141.97 -172.64 3.61 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.598 1.559 . . . . 0.0 107.695 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -124.91 5.15 8.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.656 0.782 . . . . 0.0 112.571 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 p -72.75 -179.8 3.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.971 1.308 . . . . 0.0 109.93 169.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.8 141.42 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.99 100.61 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 171.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt -81.03 -23.06 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.05 90.79 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.103 0.859 . . . . 0.0 112.519 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.78 -26.72 0.05 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.488 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.03 36.53 0.51 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.436 1.618 . . . . 0.0 111.178 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.14 -21.99 64.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.153 1.381 . . . . 0.0 112.046 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.49 -11.79 26.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.416 1.487 . . . . 0.0 113.113 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -136.88 165.59 25.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.174 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p -134.83 156.93 40.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 109.144 -172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -77.65 -3.93 43.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.11 48.53 31.74 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 119.2 0.909 . . . . 0.0 110.999 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -51.02 164.26 0.16 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.832 1.653 . . . . 0.0 113.09 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -129.58 -16.0 3.91 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.8 p90 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 120.724 1.602 . . . . 0.0 109.546 175.514 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -11.33 59.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.225 1.01 . . . . 0.0 112.283 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m 61.57 29.75 18.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.327 1.451 . . . . 0.0 111.271 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.43 -9.22 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 123.981 0.912 . . . . 0.0 111.272 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -60.0 136.39 58.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.145 1.378 . . . . 0.0 108.701 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -60.39 -33.64 72.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.891 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t0 141.4 48.64 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 131.501 3.92 . . . . 0.0 106.078 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 59.94 4.48 0.61 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.808 2.043 . . . . 0.0 113.603 -169.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -48.21 72.88 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.835 -1.166 . . . . 0.0 110.596 -175.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.05 -33.41 61.72 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -59.82 -47.36 86.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.439 1.496 . . . . 0.0 109.475 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -62.15 -42.32 99.14 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.727 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -63.73 -41.88 97.99 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.063 . . . . 0.0 111.034 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.28 -53.13 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.33 -44.25 95.68 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.792 0.437 . . . . 0.0 111.629 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 p -87.77 -20.91 25.5 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.45 -5.75 3.33 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -121.14 -43.2 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 119.819 1.19 . . . . 0.0 110.082 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -59.01 131.82 52.2 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -73.87 64.11 0.95 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.357 0.981 . . . . 0.0 111.119 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 t 51.53 -162.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.374 1.87 . . . . 0.0 112.109 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -127.18 -22.25 3.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.265 1.826 . . . . 0.0 110.75 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -136.74 -0.52 2.34 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.78 0.832 . . . . 0.0 112.765 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -145.66 173.02 12.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.471 1.108 . . . . 0.0 109.564 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -84.28 0.72 47.93 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.963 0.905 . . . . 0.0 112.719 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 p -72.86 179.77 3.53 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.219 1.408 . . . . 0.0 111.129 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.4 144.78 20.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -128.47 153.66 46.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt -91.46 -30.53 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.26 -23.49 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.169 0.89 . . . . 0.0 112.405 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.7 170.81 37.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt 61.12 -62.21 0.08 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.873 2.469 . . . . 0.0 112.668 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 50.91 26.23 2.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.884 2.074 . . . . 0.0 113.355 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -152.99 13.37 0.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -149.6 161.92 41.22 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.683 1.193 . . . . 0.0 109.457 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -135.05 151.77 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 124.949 1.3 . . . . 0.0 109.802 -169.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -71.69 -3.06 19.67 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.14 25.85 61.02 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.595 170.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 57.57 169.15 0.04 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 127.602 2.361 . . . . 0.0 113.173 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -138.97 -11.67 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.456 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.712 -1.137 . . . . 0.0 110.147 177.035 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.72 99.17 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 122.81 0.444 . . . . 0.0 110.844 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m 49.88 31.15 4.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.334 1.454 . . . . 0.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -87.24 -23.81 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.698 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.38 126.61 25.8 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.069 1.748 . . . . 0.0 108.899 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.52 -37.53 81.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 117.904 0.32 . . . . 0.0 110.931 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -168.92 157.33 7.99 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.39 2.276 . . . . 0.0 106.394 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.42 -18.37 27.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.03 0.932 . . . . 0.0 112.677 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.5 m -49.56 -37.51 27.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.248 1.019 . . . . 0.0 111.767 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -72.67 -39.49 67.07 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 120.01 1.277 . . . . 0.0 111.039 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.47 -41.0 96.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.908 1.231 . . . . 0.0 109.969 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.18 -53.9 53.06 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.098 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.22 -30.03 68.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.456 1.026 . . . . 0.0 111.683 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.41 -54.31 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 169.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -62.17 -45.88 91.44 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.044 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.0 p -94.97 -11.83 27.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.902 1.228 . . . . 0.0 113.603 -169.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.6 -17.06 4.66 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.689 -169.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.72 -44.16 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 119.523 1.056 . . . . 0.0 110.748 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -61.78 133.31 55.35 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 137.05 45.38 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.737 1.153 . . . . 0.0 108.537 169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.2 m -54.17 155.53 3.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.702 0.801 . . . . 0.0 111.798 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.19 -36.76 68.75 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.849 0.86 . . . . 0.0 111.293 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.89 158.67 43.79 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.22 1.808 . . . . 0.0 106.149 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m 66.37 162.02 0.16 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.074 1.35 . . . . 0.0 110.596 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -96.58 21.73 8.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.505 1.122 . . . . 0.0 112.133 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -70.26 176.67 3.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.433 1.093 . . . . 0.0 109.434 169.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -114.2 143.4 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -117.16 102.23 9.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.63 -42.65 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.84 -40.7 95.67 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.85 -49.15 5.49 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.913 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -145.42 -34.38 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.424 1.112 . . . . 0.0 113.511 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 52.69 26.52 4.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.557 1.543 . . . . 0.0 112.293 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -149.72 9.09 0.69 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.601 1.16 . . . . 0.0 112.309 -169.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -149.4 160.67 43.23 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.044 -1.035 . . . . 0.0 108.793 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.07 147.47 32.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 124.646 1.178 . . . . 0.0 108.426 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' H ' HG23 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.94 -23.34 66.59 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.07 11.26 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.445 -1.197 . . . . 0.0 112.129 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 59.09 168.98 0.06 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.825 2.45 . . . . 0.0 114.006 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -140.34 8.16 2.21 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.959 0.904 . . . . 0.0 112.301 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.468 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.64 158.99 44.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.508 1.523 . . . . 0.0 109.124 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 34.42 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.58 1.152 . . . . 0.0 110.371 -170.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.75 24.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 122.058 0.932 . . . . 0.0 110.474 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.54 152.45 40.58 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.691 1.997 . . . . 0.0 107.578 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -68.83 -53.31 22.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.775 0.43 . . . . 0.0 111.395 -170.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -156.57 44.95 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.48 0.657 . . . . 0.0 110.8 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.7 16.63 2.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 112.33 -170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.62 -45.34 85.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.903 2.081 . . . . 0.0 110.265 171.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -61.32 -47.22 86.91 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.759 -0.639 . . . . 0.0 109.562 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.82 -43.54 98.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.733 0.697 . . . . 0.0 111.113 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -57.92 -47.55 82.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.556 0.342 . . . . 0.0 110.463 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.07 -39.88 78.82 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.613 -0.679 . . . . 0.0 111.726 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.43 -52.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -47.32 84.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.101 0.56 . . . . 0.0 110.821 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.1 p -84.84 -12.68 53.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.05 -15.58 2.58 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.73 -43.08 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 110.812 -170.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.09 129.27 40.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 126.78 28.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -56.25 154.46 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.689 0.795 . . . . 0.0 113.053 -170.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -58.4 -26.69 63.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.289 1.035 . . . . 0.0 112.413 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -145.57 151.37 38.01 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m 68.69 143.93 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.519 1.928 . . . . 0.0 111.076 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.2 m -76.18 68.81 2.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.619 1.168 . . . . 0.0 109.954 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -133.81 -169.76 2.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.605 1.562 . . . . 0.0 107.847 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.2 mm -127.66 141.55 46.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.216 1.007 . . . . 0.0 109.694 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -115.35 151.34 34.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.46 -26.46 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.19 -41.06 94.59 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.236 0.922 . . . . 0.0 113.246 -173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.37 15.93 0.28 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-O 118.035 -1.425 . . . . 0.0 115.392 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.92 -67.28 0.64 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.913 1.857 . . . . 0.0 110.35 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 49.85 22.37 0.84 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.583 1.953 . . . . 0.0 113.735 -176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -152.35 10.72 0.51 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.15 1.38 . . . . 0.0 111.477 -172.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.94 156.83 41.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.509 1.924 . . . . 0.0 106.588 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.55 151.97 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.398 0.679 . . . . 0.0 110.043 -168.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -73.95 -18.22 60.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.01 32.62 9.65 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.347 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 61.19 170.75 0.1 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.652 2.381 . . . . 0.0 115.773 169.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -139.72 15.47 2.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.427 1.491 . . . . 0.0 111.963 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 C-N-CA 124.769 1.227 . . . . 0.0 107.851 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 155.8 41.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.291 1.436 . . . . 0.0 108.129 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -133.53 19.48 3.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.084 0.953 . . . . 0.0 111.794 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 m -71.0 -15.89 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.958 1.703 . . . . 0.0 112.97 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.5 81.27 0.16 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.847 1.259 . . . . 0.0 109.692 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -29.34 66.56 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -169.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -160.71 154.26 22.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.03 1.332 . . . . 0.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.37 -18.4 17.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.641 1.176 . . . . 0.0 112.709 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -44.85 -48.95 11.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.175 1.39 . . . . 0.0 111.146 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -72.55 -38.4 67.99 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.307 -175.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.4 -44.07 92.88 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.062 0.846 . . . . 0.0 110.4 175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.01 -49.7 73.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.607 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -60.33 -44.18 95.74 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -51.67 -58.19 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -63.79 -40.5 96.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 117.913 -1.041 . . . . 0.0 112.962 -171.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -108.38 -9.17 15.47 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 120.158 1.344 . . . . 0.0 113.814 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.83 -11.16 3.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.731 0.812 . . . . 0.0 111.975 -169.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt -120.18 -50.06 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.524 1.056 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.81 131.17 49.84 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 168.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 t -66.11 158.74 27.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.92 1.343 . . . . 0.0 111.686 -174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -72.34 -28.14 62.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.652 168.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -71.41 -50.89 27.49 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.436 1.094 . . . . 0.0 110.532 -174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -179.03 7.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.738 1.615 . . . . 0.0 108.066 -169.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -64.84 5.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.814 1.245 . . . . 0.0 113.829 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 p -66.19 160.64 23.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.361 1.864 . . . . 0.0 110.136 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.42 150.35 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.415 -0.803 . . . . 0.0 109.108 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -135.36 92.84 2.9 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.42 -28.85 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.1 -23.62 40.37 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-O 118.696 -1.058 . . . . 0.0 113.709 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.1 -46.63 0.15 Allowed Glycine 0 C--N 1.34 0.752 0 CA-C-N 119.433 1.617 . . . . 0.0 113.142 170.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.39 41.63 0.84 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.57 1.185 . . . . 0.0 111.272 -173.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.63 -21.62 66.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.798 1.239 . . . . 0.0 111.634 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.89 -10.07 35.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.426 1.491 . . . . 0.0 112.943 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -134.83 167.6 20.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.142 1.377 . . . . 0.0 109.525 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.22 148.63 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -172.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -73.74 -9.01 58.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.77 43.42 7.25 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.395 0.998 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -52.57 169.58 0.08 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.082 1.753 . . . . 0.0 114.642 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -122.98 -20.96 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.725 1.21 . . . . 0.0 112.414 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.275 1.43 . . . . 0.0 107.919 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.7 146.9 47.91 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -140.01 22.35 2.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.985 0.914 . . . . 0.0 111.473 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.26 116.77 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.138 0.975 . . . . 0.0 108.868 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.58 -27.4 69.16 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.673 -0.642 . . . . 0.0 111.886 -171.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -67.35 -14.06 62.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.492 1.117 . . . . 0.0 113.403 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -38.95 -53.95 1.7 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.3 2.24 . . . . 0.0 114.704 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.98 -44.16 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.813 0.279 . . . . 0.0 110.673 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -60.66 -37.02 80.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.304 0.641 . . . . 0.0 110.016 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -67.91 -48.5 65.81 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.572 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.57 -44.8 77.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.345 0.975 . . . . 0.0 110.484 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -64.52 -51.76 61.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.301 0.24 . . . . 0.0 111.293 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -67.93 -35.75 78.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.73 0.696 . . . . 0.0 111.98 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.73 -55.33 20.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.68 -41.84 98.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.739 0.416 . . . . 0.0 111.488 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.3 p -90.76 -19.32 23.64 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -129.01 -15.41 4.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.268 0.94 . . . . 0.0 113.428 -169.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt -118.66 -43.45 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 119.697 1.135 . . . . 0.0 110.259 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -53.38 116.09 2.26 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -80.89 29.48 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.695 1.134 . . . . 0.0 113.557 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 p -151.18 140.76 21.65 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.559 1.072 . . . . 0.0 112.014 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -155.78 -50.19 0.08 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.173 1.389 . . . . 0.0 108.764 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.22 87.81 2.4 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m 64.52 -157.69 0.3 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -65.8 18.56 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.51 2.324 . . . . 0.0 116.553 -169.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 p -66.24 133.05 49.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.597 -1.315 . . . . 0.0 109.706 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.43 139.27 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -127.97 150.61 49.83 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.22 -26.9 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.16 -34.0 88.78 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 123.976 0.798 . . . . 0.0 113.352 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.32 -44.03 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 CA-C-N 118.199 0.999 . . . . 0.0 114.015 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.14 -51.94 40.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.956 1.378 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 57.73 -20.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.87 2.868 . . . . 0.0 116.607 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -141.44 22.79 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.528 1.531 . . . . 0.0 111.217 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -135.37 157.39 47.03 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.781 1.232 . . . . 0.0 108.335 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.72 152.2 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.073 0.949 . . . . 0.0 109.531 -169.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.15 -21.4 61.59 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.5 16.33 32.12 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 118.26 -1.3 . . . . 0.0 112.781 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 55.13 176.47 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.757 2.023 . . . . 0.0 113.34 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -141.14 -38.78 0.41 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.636 1.174 . . . . 0.0 111.021 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 127.603 2.361 . . . . 0.0 106.265 -175.218 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 139.94 57.47 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.108 0.563 . . . . 0.0 109.918 173.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -75.18 17.38 0.25 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.58 1.152 . . . . 0.0 113.13 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.63 -1.16 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.524 1.93 . . . . 0.0 110.55 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 39.84 -82.5 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.622 3.169 . . . . 0.0 115.499 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 11.95 0.16 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.952 2.101 . . . . 0.0 114.686 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.25 -7.16 5.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.442 1.897 . . . . 0.0 114.846 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.49 -26.4 63.4 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.955 -1.091 . . . . 0.0 113.553 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 p -57.63 -47.41 82.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.118 0.967 . . . . 0.0 110.716 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -68.3 -37.04 80.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.499 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.77 -40.95 85.43 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.695 1.134 . . . . 0.0 110.89 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.89 -42.28 90.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.516 0.598 . . . . 0.0 111.021 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.9 -39.88 95.21 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.505 -0.747 . . . . 0.0 111.369 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -59.98 -52.33 62.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.188 1.395 . . . . 0.0 108.053 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.22 -44.58 92.28 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.191 0.596 . . . . 0.0 111.378 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 p -83.24 4.37 27.19 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -148.77 -49.48 0.15 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 113.536 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -81.63 -39.63 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 118.714 0.688 . . . . 0.0 109.774 -170.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.03 113.39 2.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -69.57 127.04 31.59 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 m -144.82 169.18 18.54 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.863 0.865 . . . . 0.0 110.69 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 67.11 161.46 0.17 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.523 1.929 . . . . 0.0 111.505 174.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.37 -31.74 66.09 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.033 -1.042 . . . . 0.0 111.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 p -70.87 -9.23 57.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.727 1.611 . . . . 0.0 113.262 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m 52.21 42.41 30.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.416 1.007 . . . . 0.0 111.455 -169.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -68.81 140.57 55.26 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -83.27 113.03 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -90.32 157.21 17.76 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 168.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -109.14 -19.35 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.41 -39.27 94.6 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.901 -1.124 . . . . 0.0 113.099 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.38 24.28 0.95 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.39 1.472 . . . . 0.0 113.734 171.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.26 -58.46 7.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.974 1.387 . . . . 0.0 108.871 174.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.2 t0 178.94 174.15 0.7 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.453 3.101 . . . . 0.0 104.617 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.97 18.85 0.09 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.152 1.381 . . . . 0.0 111.846 170.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.4 154.9 40.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.724 1.209 . . . . 0.0 110.312 -174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.11 151.36 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 126.51 1.924 . . . . 0.0 109.72 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -67.27 -15.21 63.56 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.33 26.06 62.34 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.622 -1.099 . . . . 0.0 111.899 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 57.15 171.05 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.049 2.539 . . . . 0.0 113.924 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -139.93 -8.07 1.22 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 118.383 -0.818 . . . . 0.0 113.017 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.662 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 tpp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 176.21 10.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.334 1.454 . . . . 0.0 108.091 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -127.75 32.43 4.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.975 1.31 . . . . 0.0 110.033 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.33 -16.52 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 125.552 1.541 . . . . 0.0 112.852 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -60.5 157.39 14.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.06 0.944 . . . . 0.0 111.362 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -52.66 -51.62 59.4 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.089 1.356 . . . . 0.0 112.204 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -167.3 177.51 6.06 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.69 1.996 . . . . 0.0 106.526 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.79 -8.72 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.512 1.125 . . . . 0.0 113.371 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -52.68 -46.7 67.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.668 1.187 . . . . 0.0 109.795 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -62.28 -45.92 91.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.37 -44.63 88.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.09 0.859 . . . . 0.0 109.868 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -62.28 -48.25 80.72 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.393 0.677 . . . . 0.0 110.838 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -64.19 -41.41 97.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.764 0.711 . . . . 0.0 110.795 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -55.66 -55.16 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.81 -42.8 99.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.72 0.408 . . . . 0.0 111.718 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -88.0 -22.47 24.24 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -169.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.54 -7.81 2.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt -114.72 -44.48 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.84 1.2 . . . . 0.0 109.644 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.04 113.47 1.37 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -87.88 48.02 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.547 1.139 . . . . 0.0 110.077 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -143.23 24.65 1.77 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -54.91 -41.1 70.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.273 0.942 . . . . 0.0 111.75 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -158.53 -64.57 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -81.96 -174.99 5.38 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.42 64.34 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.092 1.357 . . . . 0.0 110.774 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -132.31 140.5 48.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.635 1.574 . . . . 0.0 108.205 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.43 142.97 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.307 1.043 . . . . 0.0 110.538 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -141.45 137.45 32.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.06 32.37 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.56 24.14 0.04 OUTLIER Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.23 -51.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.122 1.461 . . . . 0.0 111.129 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -128.83 -15.46 4.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.899 1.28 . . . . 0.0 111.332 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.44 115.51 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.767 2.827 . . . . 0.0 113.413 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.06 -8.43 0.56 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.916 2.486 . . . . 0.0 114.745 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.81 135.53 51.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.06 150.16 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.2 1.0 . . . . 0.0 111.407 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -72.53 -13.6 61.45 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.81 38.15 65.96 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.58 177.68 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.34 2.256 . . . . 0.0 113.853 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -131.79 -4.27 3.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.319 1.047 . . . . 0.0 111.551 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.524 -1.227 . . . . 0.0 108.787 172.408 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.14 149.23 52.45 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.137 0.975 . . . . 0.0 110.848 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -74.75 19.79 0.13 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.727 1.611 . . . . 0.0 113.051 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 p -132.72 9.67 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.128 1.371 . . . . 0.0 110.799 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -77.47 40.75 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.129 1.372 . . . . 0.0 110.209 169.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -61.97 -33.53 74.47 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.14 -0.975 . . . . 0.0 111.911 -172.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -160.85 174.12 14.33 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.468 1.907 . . . . 0.0 106.414 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -103.37 12.96 34.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.941 1.696 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -53.72 -50.21 66.44 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.48 1.512 . . . . 0.0 110.704 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.08 -41.48 95.02 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.2 -37.94 89.2 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.4 1.0 . . . . 0.0 111.122 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.26 -42.35 99.25 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.863 0.465 . . . . 0.0 110.553 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -70.64 -39.91 73.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.75 0.704 . . . . 0.0 111.18 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -54.92 -50.98 57.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.28 -45.01 92.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.889 0.876 . . . . 0.0 111.238 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -91.4 -12.23 35.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -169.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -131.16 -14.51 3.4 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -121.99 -43.62 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.393 0.997 . . . . 0.0 110.721 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.15 119.92 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -64.87 125.45 24.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 m -147.23 -169.52 3.33 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.337 1.055 . . . . 0.0 111.379 -169.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 64.83 7.85 4.18 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.505 1.922 . . . . 0.0 113.305 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp 52.44 27.13 4.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.768 1.227 . . . . 0.0 111.444 -169.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -135.48 16.35 3.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.178 1.391 . . . . 0.0 109.899 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m 52.92 28.41 6.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.921 1.688 . . . . 0.0 112.547 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.3 m -72.5 131.08 42.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.25 134.38 29.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -120.26 104.81 10.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.39 -30.47 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.14 -35.51 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.824 1.202 . . . . 0.0 114.007 -170.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.05 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.406 1.103 . . . . 0.0 114.216 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -71.78 -51.77 20.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.921 1.36 . . . . 0.0 110.688 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 49.94 21.8 0.77 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.3 2.24 . . . . 0.0 114.172 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -154.82 12.43 0.38 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.133 . . . . 0.0 111.578 -170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -149.24 160.35 43.46 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.665 1.186 . . . . 0.0 109.173 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.9 147.0 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.448 1.099 . . . . 0.0 108.275 -169.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -64.31 -17.38 63.61 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.93 40.04 2.06 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 118.957 0.799 . . . . 0.0 113.05 169.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -51.37 160.25 0.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.804 0.842 . . . . 0.0 112.715 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -136.23 -10.96 1.95 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -169.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 120.076 1.307 . . . . 0.0 109.893 177.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.08 50.46 7.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.128 1.371 . . . . 0.0 110.851 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -78.78 28.76 0.21 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.379 1.872 . . . . 0.0 111.484 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.39 -30.66 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.088 1.755 . . . . 0.0 113.19 -171.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.67 164.44 36.93 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.922 1.289 . . . . 0.0 108.753 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -22.13 66.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -155.01 169.13 24.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.762 0.825 . . . . 0.0 109.531 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.86 11.0 0.74 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.92 2.088 . . . . 0.0 111.909 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -41.63 60.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.676 1.191 . . . . 0.0 110.761 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -60.84 -49.73 76.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.544 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.66 -36.16 81.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.159 0.436 . . . . 0.0 110.652 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.38 -51.36 69.82 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 118.961 -0.542 . . . . 0.0 109.923 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.18 -41.58 97.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.89 0.768 . . . . 0.0 110.742 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.25 -54.22 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.81 -47.02 88.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.267 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -92.98 -9.12 41.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.545 1.066 . . . . 0.0 113.215 -169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -132.8 -13.36 2.88 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -170.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.29 -43.07 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.728 1.149 . . . . 0.0 110.322 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -59.65 122.46 14.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -73.11 52.12 0.33 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.128 1.371 . . . . 0.0 111.993 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -147.33 19.94 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -169.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -59.56 -37.75 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.428 1.467 . . . . 0.0 111.759 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.13 -49.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 109.726 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -138.6 -66.86 0.47 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -137.12 11.39 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.313 1.445 . . . . 0.0 111.439 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.48 145.24 55.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.217 1.407 . . . . 0.0 108.589 169.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.55 133.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -112.41 150.99 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -86.68 -25.97 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.23 -33.3 85.54 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.171 0.891 . . . . 0.0 113.714 -169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -45.05 0.03 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.267 1.034 . . . . 0.0 113.459 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.31 -64.41 0.9 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.91 1.355 . . . . 0.0 110.26 -174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.6 t70 48.52 20.95 0.35 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.562 1.945 . . . . 0.0 113.295 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -157.78 12.07 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.891 1.276 . . . . 0.0 111.812 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -145.12 156.06 43.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.417 1.087 . . . . 0.0 108.486 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.52 152.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.176 0.99 . . . . 0.0 108.973 -169.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -66.17 -28.0 68.44 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.82 16.99 8.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.05 -1.417 . . . . 0.0 113.205 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 59.08 161.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.674 2.39 . . . . 0.0 114.487 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -140.61 15.74 2.35 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.928 1.291 . . . . 0.0 111.762 171.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.277 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ptm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.56 0.219 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 178.83 9.6 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.408 1.483 . . . . 0.0 108.24 173.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -119.93 22.68 11.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.613 1.165 . . . . 0.0 110.814 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.54 101.48 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.203 1.401 . . . . 0.0 108.372 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.7 169.85 20.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.481 1.912 . . . . 0.0 107.485 -174.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -39.09 2.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.106 0.962 . . . . 0.0 108.972 169.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.03 160.09 13.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.207 2.203 . . . . 0.0 105.354 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.46 -20.28 19.25 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.06 0.846 . . . . 0.0 112.758 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.9 m -49.74 -38.07 32.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.399 1.08 . . . . 0.0 111.339 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.43 -49.38 77.78 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.564 1.074 . . . . 0.0 109.556 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.53 -42.95 99.58 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.175 0.59 . . . . 0.0 109.894 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -64.18 -41.11 97.25 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.522 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -75.16 -33.14 61.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.924 1.238 . . . . 0.0 111.382 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.9 -52.19 58.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.75 -47.53 84.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.67 0.388 . . . . 0.0 111.233 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.6 p -83.26 -16.18 47.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.11 -14.08 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.652 1.115 . . . . 0.0 113.955 -169.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt -119.24 -43.37 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.371 0.987 . . . . 0.0 109.917 -172.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.65 138.8 53.33 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.2 144.13 50.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.617 1.099 . . . . 0.0 108.705 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -58.77 158.2 8.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.444 0.697 . . . . 0.0 111.304 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -60.07 -29.67 68.7 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -173.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -145.13 12.71 1.41 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.111 0.869 . . . . 0.0 113.245 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -146.0 162.29 38.18 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.33 1.052 . . . . 0.0 109.351 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -74.94 0.39 15.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.672 1.189 . . . . 0.0 113.109 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.6 p -71.81 -179.48 2.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.986 1.314 . . . . 0.0 110.412 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -127.98 125.67 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.08 95.42 9.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 169.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.05 -24.35 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.75 13.36 66.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.008 1.289 . . . . 0.0 112.031 172.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.7 55.97 0.74 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.259 1.885 . . . . 0.0 108.743 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 68.87 -15.51 0.25 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.72 2.408 . . . . 0.0 114.456 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 50.25 32.35 6.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.899 1.28 . . . . 0.0 111.696 -171.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.21 7.67 3.39 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.301 1.44 . . . . 0.0 111.788 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.71 160.1 40.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.999 1.32 . . . . 0.0 108.039 170.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t -132.38 149.97 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.335 1.054 . . . . 0.0 108.173 -169.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -62.73 -16.4 57.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.91 31.09 33.23 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 51.57 161.74 0.0 OUTLIER 'General case' 0 C--N 1.343 0.287 0 C-N-CA 129.794 3.237 . . . . 0.0 116.561 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -132.75 6.83 4.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.758 169.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.896 0.878 . . . . 0.0 108.677 169.242 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 175.55 12.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.397 1.079 . . . . 0.0 110.055 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -133.5 33.27 3.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.563 1.545 . . . . 0.0 109.551 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.24 -35.69 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.912 1.285 . . . . 0.0 111.432 -175.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 7' ' ' ASP . 8.3 tt0 -159.92 175.37 13.13 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 106.707 170.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 18.45 0.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.023 1.329 . . . . 0.0 113.279 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 5' ' ' GLU . 13.0 t0 -73.88 74.71 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.269 1.828 . . . . 0.0 112.859 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -92.03 -12.44 33.18 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -51.13 58.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.282 1.833 . . . . 0.0 111.081 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -73.33 -31.43 63.98 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.243 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.51 -39.59 91.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.887 1.221 . . . . 0.0 110.617 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -64.11 -46.68 83.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.32 0.509 . . . . 0.0 110.45 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.59 -43.38 97.45 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.387 0.54 . . . . 0.0 110.913 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.53 -50.95 70.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 124.438 1.095 . . . . 0.0 108.413 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.35 -45.68 90.72 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.495 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -84.46 -22.01 30.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.32 0.964 . . . . 0.0 113.162 -171.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.56 -14.84 7.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -169.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.3 -41.88 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 119.802 1.183 . . . . 0.0 110.566 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.411 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.12 112.78 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.62 123.43 19.68 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 169.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 m -140.93 164.38 30.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.042 0.937 . . . . 0.0 111.494 -169.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 63.99 166.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.124 2.17 . . . . 0.0 112.495 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.21 -23.36 63.96 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.064 -1.022 . . . . 0.0 111.838 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -70.37 -11.29 60.81 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.939 1.296 . . . . 0.0 112.543 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m 53.33 34.05 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.998 1.319 . . . . 0.0 111.793 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.49 144.43 28.72 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.687 1.595 . . . . 0.0 109.479 -177.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.33 135.48 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -130.45 132.04 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 169.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt -60.5 -31.76 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.62 -26.86 33.04 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.508 1.528 . . . . 0.0 114.045 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.33 -39.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 CA-C-N 119.337 1.569 . . . . 0.0 115.104 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -53.29 23.29 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.018 1.909 . . . . 0.0 109.758 -172.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 48.14 18.97 0.17 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.485 2.314 . . . . 0.0 114.091 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.99 11.75 0.23 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.487 1.115 . . . . 0.0 111.787 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -146.92 160.03 42.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.432 1.093 . . . . 0.0 108.707 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t -132.7 150.44 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.42 1.088 . . . . 0.0 108.612 -169.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -68.08 -13.07 61.92 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.75 54.59 30.19 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -61.92 166.97 4.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.1 0.96 . . . . 0.0 112.447 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -135.22 4.58 3.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.305 1.042 . . . . 0.0 112.667 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 116.107 -1.901 . . . . 0.0 108.083 -169.27 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.73 167.74 19.24 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.77 0.828 . . . . 0.0 111.691 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -122.92 43.59 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.053 1.741 . . . . 0.0 107.699 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.95 -18.6 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.495 1.918 . . . . 0.0 112.803 -169.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -61.68 154.89 24.04 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.821 0.737 . . . . 0.0 110.853 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -54.67 -43.99 72.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.879 0.472 . . . . 0.0 111.759 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 176.99 164.49 0.5 Allowed 'General case' 0 C--O 1.238 0.493 0 C-N-CA 128.891 2.877 . . . . 0.0 104.937 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.77 -15.77 3.59 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -41.64 48.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.331 1.053 . . . . 0.0 111.773 169.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -63.37 -43.54 97.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.659 0.663 . . . . 0.0 110.017 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.54 -34.76 78.63 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.079 0.4 . . . . 0.0 110.487 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.96 -48.15 81.69 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.972 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -61.55 -42.98 99.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.623 1.101 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.3 -52.91 26.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.25 -49.07 75.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.206 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p -88.63 -10.19 49.5 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.449 1.022 . . . . 0.0 113.727 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -127.42 -13.99 5.38 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.476 1.034 . . . . 0.0 113.537 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt -121.98 -43.47 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 119.653 1.115 . . . . 0.0 110.098 -176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -58.57 117.57 4.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -93.59 -26.36 17.14 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 111.474 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 p -69.41 -25.34 64.09 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.803 0.729 . . . . 0.0 112.585 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -57.98 -32.12 67.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.673 0.669 . . . . 0.0 112.088 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -127.71 40.9 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.878 0.871 . . . . 0.0 109.581 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m 52.28 65.18 1.58 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.843 1.257 . . . . 0.0 111.213 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m 65.19 40.82 4.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.059 1.343 . . . . 0.0 111.34 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -133.61 135.36 44.18 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 170.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 mm -73.31 140.76 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 109.569 -169.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.51 153.17 51.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 168.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.95 -43.1 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.02 -41.35 93.12 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.64 -46.4 7.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.071 -0.849 . . . . 0.0 113.014 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -146.45 -36.13 0.26 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.431 1.115 . . . . 0.0 113.273 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t0 52.33 26.78 4.29 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.776 1.631 . . . . 0.0 112.704 -169.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -151.04 13.4 0.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.771 1.229 . . . . 0.0 111.856 -170.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -152.19 162.44 41.13 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.948 1.299 . . . . 0.0 108.434 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t -135.06 146.7 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -171.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.441 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -60.19 -24.34 64.71 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.45 38.71 3.65 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -57.95 160.56 4.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.474 1.11 . . . . 0.0 112.584 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -138.89 10.71 2.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -169.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.128 -172.198 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.61 3.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.366 0.666 . . . . 0.0 110.845 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -135.66 27.39 3.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.489 1.516 . . . . 0.0 109.753 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.6 m -110.52 -32.58 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 124.681 1.192 . . . . 0.0 110.511 -174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.51 158.68 32.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.557 1.543 . . . . 0.0 109.54 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -55.77 -42.67 75.84 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.984 0.913 . . . . 0.0 112.565 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -167.49 175.08 7.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.266 1.826 . . . . 0.0 106.841 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.79 -4.33 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 113.342 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -52.47 -49.86 63.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.427 1.091 . . . . 0.0 109.636 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.88 -36.29 79.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.094 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.56 -45.7 84.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.829 1.195 . . . . 0.0 110.182 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -62.18 -47.64 83.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.522 0.329 . . . . 0.0 110.974 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 mmm-85 -62.32 -43.14 99.5 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.939 0.79 . . . . 0.0 110.867 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.81 -55.15 21.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -60.6 -41.56 95.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.124 0.57 . . . . 0.0 111.556 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -90.31 -21.14 22.19 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.42 -6.93 2.25 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -116.33 -44.03 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 119.607 1.094 . . . . 0.0 109.233 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.82 114.13 2.63 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.8 -32.29 40.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.268 0.486 . . . . 0.0 110.124 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 87.1 0.58 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.183 0.993 . . . . 0.0 110.678 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -138.08 167.64 21.39 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 128.175 2.59 . . . . 0.0 105.469 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -56.93 -24.06 49.78 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.643 0.656 . . . . 0.0 112.39 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 p -86.08 -14.25 44.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.239 1.416 . . . . 0.0 112.668 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m 52.97 39.93 30.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.012 1.325 . . . . 0.0 112.116 -169.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.0 p -133.05 163.29 29.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.934 1.294 . . . . 0.0 109.555 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.04 137.9 22.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 122.164 0.983 . . . . 0.0 108.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -133.27 151.85 51.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 168.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.475 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.38 -26.62 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.78 -34.15 59.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.399 -0.813 . . . . 0.0 112.098 -174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.61 165.74 31.5 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? 53.39 31.01 11.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.242 1.017 . . . . 0.0 112.537 -169.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -50.83 -38.28 47.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.034 1.334 . . . . 0.0 112.14 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.95 -22.75 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.836 0.854 . . . . 0.0 112.641 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -97.49 62.14 1.69 Allowed 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.1 0.96 . . . . 0.0 108.514 -175.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t -52.09 145.2 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 125.014 1.326 . . . . 0.0 110.147 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -66.58 -15.89 63.76 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.05 53.55 14.31 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -56.79 165.33 1.23 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.222 1.009 . . . . 0.0 112.144 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -112.8 -24.03 9.81 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 117.653 -1.165 . . . . 0.0 113.916 -169.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 120.082 1.31 . . . . 0.0 110.391 -171.89 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.63 165.28 28.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.64 1.976 . . . . 0.0 107.424 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -100.72 18.79 18.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.963 0.905 . . . . 0.0 111.013 170.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.86 49.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.146 1.778 . . . . 0.0 107.286 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -54.49 -22.51 13.04 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.161 -1.587 . . . . 0.0 114.975 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -3.4 31.6 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.74 -1.07 2.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.92 -28.56 64.38 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.815 -1.178 . . . . 0.0 113.133 -173.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.0 p -54.21 -48.97 70.45 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.121 1.368 . . . . 0.0 110.972 170.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -75.2 -37.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.984 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -41.19 83.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 120.0 1.273 . . . . 0.0 110.774 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.23 -43.29 99.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.175 0.443 . . . . 0.0 110.643 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -71.78 -32.72 67.94 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.306 -0.871 . . . . 0.0 112.619 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.01 -50.34 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -60.75 -45.14 95.46 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.599 0.76 . . . . 0.0 110.822 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 6.73 14.52 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -150.2 -61.13 0.2 Allowed 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.511 1.051 . . . . 0.0 112.798 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt -69.76 -38.95 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.99 0.516 . . . . 0.0 111.169 -169.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -56.72 125.33 21.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -70.87 -15.54 62.63 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 m -143.95 157.3 44.44 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.167 1.348 . . . . 0.0 110.889 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -148.72 -43.76 0.15 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.762 1.225 . . . . 0.0 109.166 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -141.1 -62.27 0.48 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.17 166.67 21.96 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 168.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -78.5 34.45 0.21 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.396 1.478 . . . . 0.0 111.326 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -83.8 137.76 33.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.77 1.628 . . . . 0.0 109.032 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.28 131.35 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -128.64 131.19 48.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.13 -23.08 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.56 -42.74 94.22 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.204 0.907 . . . . 0.0 112.705 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.88 -31.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-N 117.828 0.814 . . . . 0.0 114.28 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -84.27 34.87 0.52 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.077 1.439 . . . . 0.0 111.255 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.0 -22.01 64.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.349 1.46 . . . . 0.0 112.074 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.65 -12.11 31.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 113.043 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -137.09 167.41 21.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.762 1.225 . . . . 0.0 110.084 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t -136.79 150.16 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -171.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -69.62 -20.26 63.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.79 31.35 49.55 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.746 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.59 168.34 0.09 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.089 2.556 . . . . 0.0 114.652 173.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -137.39 2.48 2.49 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.118 . . . . 0.0 112.232 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.531 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 85' ' ' ILE . 2.5 mt . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.916 0.865 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 119.026 -0.511 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE3' ' H ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.82 0.819 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.714 0.768 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 105' ' ' VAL . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 118.95 -0.547 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm . . . . . 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.474 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 122.196 0.998 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm . . . . . 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 120' ' ' LEU . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 HG22 ' A' ' 82' ' ' VAL . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 65' ' ' VAL . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.4 158.66 42.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.992 1.317 . . . . 0.0 108.111 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -90.85 27.64 1.75 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.866 1.266 . . . . 0.0 112.122 -173.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 4' ' ' VAL . 10.9 m -74.71 60.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 127.254 2.222 . . . . 0.0 111.027 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -143.43 114.32 7.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.566 1.147 . . . . 0.0 108.564 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -38.44 82.02 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.334 -0.229 . . . . 0.0 110.565 170.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -171.47 168.06 6.56 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 127.785 2.434 . . . . 0.0 106.049 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -64.97 -0.1 1.43 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.055 1.342 . . . . 0.0 113.497 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -53.18 -43.83 67.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 111.422 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -62.79 -48.18 80.23 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.71 -44.24 93.79 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 122.534 0.334 . . . . 0.0 110.225 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -68.48 -36.09 78.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.017 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -71.19 -34.02 70.5 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.774 1.624 . . . . 0.0 111.663 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.6 -53.16 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 169.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.51 -38.42 89.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.122 1.369 . . . . 0.0 112.75 -174.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -101.88 9.81 40.34 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.192 0.906 . . . . 0.0 112.063 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -146.82 -54.57 0.24 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.561 0.619 . . . . 0.0 111.5 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt -78.11 -42.48 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 -169.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.96 131.65 47.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -55.95 131.12 46.37 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -61.98 155.96 22.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 122.135 0.969 . . . . 0.0 110.806 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -72.56 -28.0 62.55 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.864 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -77.1 -45.63 26.32 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.691 0.678 . . . . 0.0 110.969 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.3 -177.89 6.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 108.774 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 m -64.92 10.9 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.367 1.467 . . . . 0.0 113.727 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -70.91 -176.42 1.35 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.801 2.04 . . . . 0.0 109.855 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.22 134.97 64.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -114.39 96.02 5.56 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 170.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.26 -25.89 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.48 85.26 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.24 0.924 . . . . 0.0 113.485 -169.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.73 -48.97 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 CA-C-N 118.338 1.069 . . . . 0.0 113.911 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.8 -55.28 7.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.992 1.396 . . . . 0.0 110.509 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 49.85 21.03 0.63 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.999 2.119 . . . . 0.0 114.337 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.33 12.31 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.38 1.072 . . . . 0.0 111.736 -170.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -148.52 160.72 42.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 108.942 -177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.42 148.84 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.266 1.026 . . . . 0.0 108.959 -169.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -63.28 -31.61 72.8 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.88 27.48 7.42 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.681 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 59.4 170.84 0.07 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.686 2.394 . . . . 0.0 114.667 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -137.17 13.89 3.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.612 1.565 . . . . 0.0 111.149 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 124.512 1.125 . . . . 0.0 108.564 169.056 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.7 156.95 43.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.11 1.364 . . . . 0.0 108.552 175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -138.28 25.81 2.67 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.382 1.073 . . . . 0.0 111.143 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.31 -16.41 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.611 1.164 . . . . 0.0 112.603 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.3 135.87 49.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.744 1.217 . . . . 0.0 111.349 -173.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -65.69 -39.6 91.46 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.776 0.43 . . . . 0.0 111.162 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -172.52 156.02 3.56 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 127.158 2.183 . . . . 0.0 106.338 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.5 -25.06 34.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.486 1.114 . . . . 0.0 112.533 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -50.8 -38.97 51.48 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.564 1.145 . . . . 0.0 111.383 171.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -68.8 -44.2 74.07 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 121.424 -0.798 . . . . 0.0 109.803 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.58 -42.65 92.97 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.965 0.506 . . . . 0.0 109.776 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.85 -53.05 62.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.841 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -69.16 -32.63 72.1 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 119.537 1.062 . . . . 0.0 111.831 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.79 -54.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 120.21 1.368 . . . . 0.0 107.333 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.91 -45.49 92.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.273 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.3 p -97.02 -10.46 26.12 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.021 1.282 . . . . 0.0 114.187 -169.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.32 -14.12 3.83 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.209 0.913 . . . . 0.0 112.16 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.8 -47.42 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.546 1.067 . . . . 0.0 110.862 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -68.37 129.12 38.99 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -84.89 7.28 21.55 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -84.66 15.7 3.67 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.891 -1.131 . . . . 0.0 113.795 -169.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -70.69 -174.12 0.86 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 109.331 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.3 141.15 4.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.795 0.838 . . . . 0.0 110.573 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.3 m 53.85 -98.85 0.08 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -146.02 30.52 1.05 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.384 1.474 . . . . 0.0 109.422 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.3 p -72.22 162.28 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.3 -0.875 . . . . 0.0 110.441 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -82.22 138.76 18.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 O-C-N 121.453 -0.78 . . . . 0.0 109.008 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -123.15 150.71 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 85' ' ' ILE . 2.5 mt -126.77 -20.9 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.46 -29.74 4.64 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 121.04 -1.038 . . . . 0.0 113.942 -169.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.21 -30.68 3.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.883 1.23 . . . . 0.0 111.696 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -143.51 -177.84 5.59 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.865 2.066 . . . . 0.0 106.599 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -142.03 10.67 1.96 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.743 0.817 . . . . 0.0 111.389 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -150.41 24.33 0.8 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.027 0.931 . . . . 0.0 111.859 -169.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -141.67 157.6 44.86 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 109.868 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.16 147.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.017 1.327 . . . . 0.0 108.012 -170.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.88 -19.84 66.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.23 -16.18 49.79 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.353 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . 0.319 12.9 p90 41.8 -152.98 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.885 2.474 . . . . 0.0 113.933 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -128.78 -57.59 1.18 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.695 -169.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.732 -178.845 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.91 156.68 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.948 1.299 . . . . 0.0 108.527 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.56 25.82 2.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.468 -172.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -66.81 -26.26 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.75 1.22 . . . . 0.0 112.506 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.8 162.61 25.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.696 1.198 . . . . 0.0 112.388 -170.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.6 -45.7 91.69 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.815 0.846 . . . . 0.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -169.55 164.72 10.39 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.04 1.736 . . . . 0.0 107.017 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.23 -20.5 4.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.82 0.848 . . . . 0.0 112.899 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -43.4 -43.06 4.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.915 1.686 . . . . 0.0 111.101 169.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -66.22 -49.12 68.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.058 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.06 -39.91 93.95 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.199 0.599 . . . . 0.0 110.147 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -58.72 -53.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.747 0.819 . . . . 0.0 109.522 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -64.69 -34.99 79.61 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.169 0.441 . . . . 0.0 111.896 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.45 -55.71 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.23 -44.16 92.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.96 -0.543 . . . . 0.0 112.166 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 p -82.39 -9.86 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.623 1.101 . . . . 0.0 113.294 -169.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.96 -53.35 0.48 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 119.299 0.954 . . . . 0.0 111.907 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.76 -43.5 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.627 0.649 . . . . 0.0 109.763 -169.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -54.7 110.53 0.66 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -80.06 -11.34 59.78 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 118.64 0.655 . . . . 0.0 111.745 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -67.88 -12.18 60.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.53 141.89 56.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.226 0.921 . . . . 0.0 109.223 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 45.65 -132.79 0.95 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.98 1.312 . . . . 0.0 109.436 -174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -65.92 -59.85 3.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.565 1.146 . . . . 0.0 109.626 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 p -162.96 15.33 0.07 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.529 1.132 . . . . 0.0 111.607 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 p -72.46 144.84 47.94 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.23 -0.918 . . . . 0.0 110.204 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mm -69.31 142.85 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -133.67 145.34 49.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 169.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt -81.61 -22.65 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.0 94.59 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.122 0.868 . . . . 0.0 112.552 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.37 -28.25 0.04 OUTLIER Glycine 0 CA--C 1.528 0.851 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.472 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -83.24 35.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.611 1.705 . . . . 0.0 111.422 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.0 -22.65 64.73 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.143 1.377 . . . . 0.0 111.939 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.98 -11.67 30.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.321 1.449 . . . . 0.0 113.102 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -137.34 168.05 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.851 1.26 . . . . 0.0 110.037 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -134.24 155.67 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.325 1.45 . . . . 0.0 108.825 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.58 -17.33 59.86 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.83 43.58 73.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -55.83 157.12 4.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.36 1.464 . . . . 0.0 112.305 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -142.0 10.13 1.95 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.178 0.991 . . . . 0.0 112.096 -171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.21 1.804 . . . . 0.0 110.079 -169.557 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.93 7.21 4.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.888 1.275 . . . . 0.0 111.683 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m 57.34 26.3 12.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.151 1.38 . . . . 0.0 111.892 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.28 21.98 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.229 1.011 . . . . 0.0 109.844 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -50.89 -36.27 37.26 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 127.28 2.232 . . . . 0.0 112.238 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 tpt85 -57.77 -23.63 53.16 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.556 1.142 . . . . 0.0 113.399 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.48 2.84 3.5 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.74 1.155 . . . . 0.0 113.709 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.8 -27.15 39.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.572 1.149 . . . . 0.0 113.963 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -42.38 95.66 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.039 0.936 . . . . 0.0 111.577 172.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.2 -39.11 63.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.971 173.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.27 -42.3 81.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.574 1.534 . . . . 0.0 110.609 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -52.14 66.68 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.078 0.399 . . . . 0.0 110.099 174.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -62.26 -42.71 99.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.405 0.548 . . . . 0.0 110.751 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.28 -52.34 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.68 1.192 . . . . 0.0 108.094 174.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.49 -48.02 80.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.667 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -85.01 -21.64 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.204 0.911 . . . . 0.0 113.041 -172.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -118.7 -16.07 9.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -170.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -123.33 -40.63 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 119.766 1.166 . . . . 0.0 110.908 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -66.8 142.86 57.21 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.07 141.69 53.36 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.9 m -54.98 151.58 8.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.437 0.695 . . . . 0.0 111.17 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -61.02 -31.2 70.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.727 0.811 . . . . 0.0 112.876 -171.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -137.74 10.18 2.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -144.8 171.35 14.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.734 1.214 . . . . 0.0 109.052 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.3 m -82.67 -0.23 46.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.125 0.97 . . . . 0.0 112.723 178.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 p -72.93 -173.33 1.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.0 mm -120.64 144.65 28.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -132.25 111.13 11.13 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.64 -26.31 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.15 -33.08 78.29 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.419 1.009 . . . . 0.0 113.68 -169.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.86 -50.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 CA-C-N 118.494 1.147 . . . . 0.0 114.089 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -76.49 -55.74 5.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.425 1.112 . . . . 0.0 111.646 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 48.62 25.66 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.975 1.71 . . . . 0.0 113.033 -170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.62 12.38 0.45 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -146.93 159.47 43.51 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.417 1.087 . . . . 0.0 108.77 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.53 150.44 30.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.282 1.033 . . . . 0.0 108.65 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE3' ' H ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.47 -26.55 66.88 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.21 32.48 2.78 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.732 0.682 . . . . 0.0 111.399 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.94 170.65 0.6 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.949 1.699 . . . . 0.0 114.441 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.58 -10.11 2.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.786 1.234 . . . . 0.0 112.553 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.28 1.832 . . . . 0.0 107.714 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.08 -26.27 48.82 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 53.36 29.55 8.9 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.83 1.252 . . . . 0.0 112.138 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 -19.09 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 125.882 1.673 . . . . 0.0 112.186 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -59.67 155.23 16.13 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.841 0.746 . . . . 0.0 111.269 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.89 -48.78 78.94 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.484 0.714 . . . . 0.0 110.294 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -170.47 174.86 4.97 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.839 2.056 . . . . 0.0 106.337 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.5 -11.42 1.96 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.337 1.455 . . . . 0.0 113.49 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -54.02 -42.71 69.41 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.842 1.201 . . . . 0.0 110.888 169.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -59.96 -43.97 94.71 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.224 0.61 . . . . 0.0 109.614 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -64.74 -39.15 93.15 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.081 0.4 . . . . 0.0 110.874 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -63.41 -43.66 96.87 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.49 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -63.27 -44.34 95.37 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.204 0.911 . . . . 0.0 110.766 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -55.75 -53.46 37.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.62 92.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.878 0.471 . . . . 0.0 111.341 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -85.62 -21.44 28.45 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -130.95 -6.83 3.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.0 -43.8 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 119.906 1.23 . . . . 0.0 110.304 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.41 120.08 9.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -67.55 129.81 41.07 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -146.41 -170.35 3.48 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.359 1.063 . . . . 0.0 111.074 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 65.12 7.32 4.02 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.419 1.888 . . . . 0.0 113.386 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 53.66 24.0 3.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.845 1.258 . . . . 0.0 111.767 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 p -132.78 17.75 4.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.238 1.415 . . . . 0.0 110.037 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m 53.94 27.08 6.89 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.78 1.632 . . . . 0.0 112.547 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 m -72.2 125.12 26.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -72.92 136.1 26.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.1 154.03 42.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.68 -23.46 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.57 93.38 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.178 0.894 . . . . 0.0 112.503 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.9 -28.34 0.04 OUTLIER Glycine 0 CA--C 1.527 0.791 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.283 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.79 36.22 0.54 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.277 1.538 . . . . 0.0 111.221 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.94 -22.49 64.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.012 1.325 . . . . 0.0 111.871 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.84 -10.73 30.47 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.362 1.465 . . . . 0.0 113.023 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.17 165.56 25.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.005 1.322 . . . . 0.0 109.812 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.01 151.32 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -79.96 -3.39 48.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.92 47.74 45.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.287 0.949 . . . . 0.0 111.202 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -55.75 161.89 1.97 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.644 1.177 . . . . 0.0 113.004 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -139.03 9.48 2.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.639 0.776 . . . . 0.0 112.393 -170.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.051 1.74 . . . . 0.0 109.703 -169.777 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.5 58.84 1.39 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.901 1.28 . . . . 0.0 110.836 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -74.69 29.79 0.09 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.887 2.075 . . . . 0.0 112.165 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.9 p -48.34 123.14 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.478 1.911 . . . . 0.0 111.376 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 29.29 -103.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 129.384 3.074 . . . . 0.0 113.975 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 -65.56 -14.66 61.56 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 t70 37.68 -120.29 0.2 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.452 1.901 . . . . 0.0 112.345 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.13 -24.66 66.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.521 1.51 . . . . 0.0 113.784 -172.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -43.78 97.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.722 0.692 . . . . 0.0 109.813 176.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.77 -36.9 50.05 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.605 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.85 -39.65 92.6 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.283 0.947 . . . . 0.0 110.302 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.56 -44.26 94.65 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.987 0.515 . . . . 0.0 110.778 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -60.75 -48.87 79.85 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.772 -0.58 . . . . 0.0 110.608 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -53.01 -50.75 43.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 124.38 1.072 . . . . 0.0 109.02 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.12 -42.37 94.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.147 0.579 . . . . 0.0 111.258 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 p -87.07 -21.55 25.98 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -134.86 -2.97 2.57 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt -121.45 -43.55 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.733 1.152 . . . . 0.0 110.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -61.53 137.12 58.23 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.8 136.7 56.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.16 0.891 . . . . 0.0 108.645 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -64.03 159.11 20.85 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.023 0.916 . . . . 0.0 112.049 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -66.94 115.29 6.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 109.512 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 tttt 54.53 27.15 8.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.55 1.54 . . . . 0.0 113.173 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -141.97 -172.64 3.61 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.598 1.559 . . . . 0.0 107.695 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -124.91 5.15 8.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.656 0.782 . . . . 0.0 112.571 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 p -72.75 -179.8 3.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.971 1.308 . . . . 0.0 109.93 169.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.8 141.42 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.99 100.61 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 171.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt -81.03 -23.06 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.05 90.79 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.103 0.859 . . . . 0.0 112.519 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.78 -26.72 0.05 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.488 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.03 36.53 0.51 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.436 1.618 . . . . 0.0 111.178 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.14 -21.99 64.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.153 1.381 . . . . 0.0 112.046 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.49 -11.79 26.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.416 1.487 . . . . 0.0 113.113 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -136.88 165.59 25.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.174 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p -134.83 156.93 40.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 109.144 -172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -77.65 -3.93 43.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.11 48.53 31.74 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 119.2 0.909 . . . . 0.0 110.999 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -51.02 164.26 0.16 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.832 1.653 . . . . 0.0 113.09 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -129.58 -16.0 3.91 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.8 p90 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 120.724 1.602 . . . . 0.0 109.546 175.514 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -11.33 59.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.225 1.01 . . . . 0.0 112.283 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m 61.57 29.75 18.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.327 1.451 . . . . 0.0 111.271 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.43 -9.22 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 123.981 0.912 . . . . 0.0 111.272 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -60.0 136.39 58.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.145 1.378 . . . . 0.0 108.701 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -60.39 -33.64 72.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.891 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t0 141.4 48.64 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 131.501 3.92 . . . . 0.0 106.078 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 59.94 4.48 0.61 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.808 2.043 . . . . 0.0 113.603 -169.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -48.21 72.88 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.835 -1.166 . . . . 0.0 110.596 -175.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.05 -33.41 61.72 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -59.82 -47.36 86.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.439 1.496 . . . . 0.0 109.475 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -62.15 -42.32 99.14 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.727 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -63.73 -41.88 97.99 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.063 . . . . 0.0 111.034 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.28 -53.13 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.33 -44.25 95.68 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.792 0.437 . . . . 0.0 111.629 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 p -87.77 -20.91 25.5 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.45 -5.75 3.33 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -121.14 -43.2 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 119.819 1.19 . . . . 0.0 110.082 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -59.01 131.82 52.2 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -73.87 64.11 0.95 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.357 0.981 . . . . 0.0 111.119 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 t 51.53 -162.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.374 1.87 . . . . 0.0 112.109 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -127.18 -22.25 3.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.265 1.826 . . . . 0.0 110.75 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -136.74 -0.52 2.34 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.78 0.832 . . . . 0.0 112.765 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -145.66 173.02 12.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.471 1.108 . . . . 0.0 109.564 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -84.28 0.72 47.93 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.963 0.905 . . . . 0.0 112.719 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 p -72.86 179.77 3.53 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.219 1.408 . . . . 0.0 111.129 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.4 144.78 20.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -128.47 153.66 46.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt -91.46 -30.53 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.26 -23.49 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.169 0.89 . . . . 0.0 112.405 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.7 170.81 37.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt 61.12 -62.21 0.08 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.873 2.469 . . . . 0.0 112.668 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 50.91 26.23 2.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.884 2.074 . . . . 0.0 113.355 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -152.99 13.37 0.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -149.6 161.92 41.22 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.683 1.193 . . . . 0.0 109.457 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -135.05 151.77 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 124.949 1.3 . . . . 0.0 109.802 -169.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -71.69 -3.06 19.67 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.14 25.85 61.02 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.595 170.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 57.57 169.15 0.04 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 127.602 2.361 . . . . 0.0 113.173 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -138.97 -11.67 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.456 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.712 -1.137 . . . . 0.0 110.147 177.035 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.72 99.17 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 122.81 0.444 . . . . 0.0 110.844 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m 49.88 31.15 4.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.334 1.454 . . . . 0.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -87.24 -23.81 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.698 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.38 126.61 25.8 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.069 1.748 . . . . 0.0 108.899 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.52 -37.53 81.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 117.904 0.32 . . . . 0.0 110.931 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -168.92 157.33 7.99 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.39 2.276 . . . . 0.0 106.394 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.42 -18.37 27.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.03 0.932 . . . . 0.0 112.677 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.5 m -49.56 -37.51 27.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.248 1.019 . . . . 0.0 111.767 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -72.67 -39.49 67.07 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 120.01 1.277 . . . . 0.0 111.039 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.47 -41.0 96.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.908 1.231 . . . . 0.0 109.969 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.18 -53.9 53.06 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.098 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.22 -30.03 68.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.456 1.026 . . . . 0.0 111.683 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.41 -54.31 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 169.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -62.17 -45.88 91.44 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.044 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.0 p -94.97 -11.83 27.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.902 1.228 . . . . 0.0 113.603 -169.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.6 -17.06 4.66 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.689 -169.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.72 -44.16 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 119.523 1.056 . . . . 0.0 110.748 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -61.78 133.31 55.35 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 137.05 45.38 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.737 1.153 . . . . 0.0 108.537 169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.2 m -54.17 155.53 3.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.702 0.801 . . . . 0.0 111.798 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.19 -36.76 68.75 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.849 0.86 . . . . 0.0 111.293 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.89 158.67 43.79 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.22 1.808 . . . . 0.0 106.149 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m 66.37 162.02 0.16 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.074 1.35 . . . . 0.0 110.596 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -96.58 21.73 8.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.505 1.122 . . . . 0.0 112.133 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -70.26 176.67 3.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.433 1.093 . . . . 0.0 109.434 169.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -114.2 143.4 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -117.16 102.23 9.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.63 -42.65 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.84 -40.7 95.67 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.85 -49.15 5.49 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.913 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -145.42 -34.38 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.424 1.112 . . . . 0.0 113.511 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 52.69 26.52 4.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.557 1.543 . . . . 0.0 112.293 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -149.72 9.09 0.69 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.601 1.16 . . . . 0.0 112.309 -169.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -149.4 160.67 43.23 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.044 -1.035 . . . . 0.0 108.793 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.07 147.47 32.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 124.646 1.178 . . . . 0.0 108.426 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 105' ' ' VAL . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.94 -23.34 66.59 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.07 11.26 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.445 -1.197 . . . . 0.0 112.129 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 59.09 168.98 0.06 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.825 2.45 . . . . 0.0 114.006 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -140.34 8.16 2.21 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.959 0.904 . . . . 0.0 112.301 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.468 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.64 158.99 44.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.508 1.523 . . . . 0.0 109.124 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 34.42 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.58 1.152 . . . . 0.0 110.371 -170.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.75 24.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 122.058 0.932 . . . . 0.0 110.474 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.54 152.45 40.58 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.691 1.997 . . . . 0.0 107.578 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -68.83 -53.31 22.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.775 0.43 . . . . 0.0 111.395 -170.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -156.57 44.95 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.48 0.657 . . . . 0.0 110.8 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.7 16.63 2.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 112.33 -170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.62 -45.34 85.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.903 2.081 . . . . 0.0 110.265 171.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -61.32 -47.22 86.91 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.759 -0.639 . . . . 0.0 109.562 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.82 -43.54 98.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.733 0.697 . . . . 0.0 111.113 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -57.92 -47.55 82.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.556 0.342 . . . . 0.0 110.463 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.07 -39.88 78.82 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.613 -0.679 . . . . 0.0 111.726 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.43 -52.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -47.32 84.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.101 0.56 . . . . 0.0 110.821 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.1 p -84.84 -12.68 53.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.05 -15.58 2.58 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.73 -43.08 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 110.812 -170.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.09 129.27 40.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 126.78 28.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -56.25 154.46 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.689 0.795 . . . . 0.0 113.053 -170.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -58.4 -26.69 63.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.289 1.035 . . . . 0.0 112.413 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -145.57 151.37 38.01 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m 68.69 143.93 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.519 1.928 . . . . 0.0 111.076 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.2 m -76.18 68.81 2.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.619 1.168 . . . . 0.0 109.954 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -133.81 -169.76 2.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.605 1.562 . . . . 0.0 107.847 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.2 mm -127.66 141.55 46.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.216 1.007 . . . . 0.0 109.694 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -115.35 151.34 34.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.46 -26.46 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.19 -41.06 94.59 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.236 0.922 . . . . 0.0 113.246 -173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.37 15.93 0.28 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-O 118.035 -1.425 . . . . 0.0 115.392 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.92 -67.28 0.64 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.913 1.857 . . . . 0.0 110.35 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 49.85 22.37 0.84 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.583 1.953 . . . . 0.0 113.735 -176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -152.35 10.72 0.51 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.15 1.38 . . . . 0.0 111.477 -172.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.94 156.83 41.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.509 1.924 . . . . 0.0 106.588 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.55 151.97 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.398 0.679 . . . . 0.0 110.043 -168.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -73.95 -18.22 60.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.01 32.62 9.65 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.347 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 61.19 170.75 0.1 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.652 2.381 . . . . 0.0 115.773 169.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -139.72 15.47 2.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.427 1.491 . . . . 0.0 111.963 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 C-N-CA 124.769 1.227 . . . . 0.0 107.851 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 155.8 41.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.291 1.436 . . . . 0.0 108.129 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -133.53 19.48 3.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.084 0.953 . . . . 0.0 111.794 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 m -71.0 -15.89 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.958 1.703 . . . . 0.0 112.97 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.5 81.27 0.16 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.847 1.259 . . . . 0.0 109.692 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -29.34 66.56 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -169.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -160.71 154.26 22.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.03 1.332 . . . . 0.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.37 -18.4 17.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.641 1.176 . . . . 0.0 112.709 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -44.85 -48.95 11.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.175 1.39 . . . . 0.0 111.146 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -72.55 -38.4 67.99 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.307 -175.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.4 -44.07 92.88 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.062 0.846 . . . . 0.0 110.4 175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.01 -49.7 73.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.607 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -60.33 -44.18 95.74 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -51.67 -58.19 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -63.79 -40.5 96.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 117.913 -1.041 . . . . 0.0 112.962 -171.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -108.38 -9.17 15.47 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 120.158 1.344 . . . . 0.0 113.814 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.83 -11.16 3.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.731 0.812 . . . . 0.0 111.975 -169.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt -120.18 -50.06 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.524 1.056 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.81 131.17 49.84 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 168.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 t -66.11 158.74 27.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.92 1.343 . . . . 0.0 111.686 -174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -72.34 -28.14 62.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.652 168.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -71.41 -50.89 27.49 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.436 1.094 . . . . 0.0 110.532 -174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -179.03 7.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.738 1.615 . . . . 0.0 108.066 -169.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -64.84 5.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.814 1.245 . . . . 0.0 113.829 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 p -66.19 160.64 23.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.361 1.864 . . . . 0.0 110.136 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.42 150.35 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.415 -0.803 . . . . 0.0 109.108 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -135.36 92.84 2.9 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.42 -28.85 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.1 -23.62 40.37 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-O 118.696 -1.058 . . . . 0.0 113.709 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.1 -46.63 0.15 Allowed Glycine 0 C--N 1.34 0.752 0 CA-C-N 119.433 1.617 . . . . 0.0 113.142 170.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.39 41.63 0.84 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.57 1.185 . . . . 0.0 111.272 -173.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.63 -21.62 66.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.798 1.239 . . . . 0.0 111.634 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.89 -10.07 35.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.426 1.491 . . . . 0.0 112.943 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -134.83 167.6 20.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.142 1.377 . . . . 0.0 109.525 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.22 148.63 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -172.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -73.74 -9.01 58.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.77 43.42 7.25 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.395 0.998 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.449 ' CE1' HD22 ' A' ' 120' ' ' LEU . 1.6 p90 -52.57 169.58 0.08 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.082 1.753 . . . . 0.0 114.642 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -122.98 -20.96 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.725 1.21 . . . . 0.0 112.414 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.275 1.43 . . . . 0.0 107.919 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.7 146.9 47.91 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -140.01 22.35 2.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.985 0.914 . . . . 0.0 111.473 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.26 116.77 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.138 0.975 . . . . 0.0 108.868 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.58 -27.4 69.16 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.673 -0.642 . . . . 0.0 111.886 -171.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -67.35 -14.06 62.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.492 1.117 . . . . 0.0 113.403 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -38.95 -53.95 1.7 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.3 2.24 . . . . 0.0 114.704 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.98 -44.16 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.813 0.279 . . . . 0.0 110.673 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -60.66 -37.02 80.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.304 0.641 . . . . 0.0 110.016 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -67.91 -48.5 65.81 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.572 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.57 -44.8 77.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.345 0.975 . . . . 0.0 110.484 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -64.52 -51.76 61.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.301 0.24 . . . . 0.0 111.293 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -67.93 -35.75 78.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.73 0.696 . . . . 0.0 111.98 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.73 -55.33 20.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.68 -41.84 98.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.739 0.416 . . . . 0.0 111.488 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.3 p -90.76 -19.32 23.64 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -129.01 -15.41 4.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.268 0.94 . . . . 0.0 113.428 -169.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt -118.66 -43.45 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 119.697 1.135 . . . . 0.0 110.259 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -53.38 116.09 2.26 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -80.89 29.48 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.695 1.134 . . . . 0.0 113.557 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 p -151.18 140.76 21.65 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.559 1.072 . . . . 0.0 112.014 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -155.78 -50.19 0.08 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.173 1.389 . . . . 0.0 108.764 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.22 87.81 2.4 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m 64.52 -157.69 0.3 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -65.8 18.56 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.51 2.324 . . . . 0.0 116.553 -169.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 p -66.24 133.05 49.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.597 -1.315 . . . . 0.0 109.706 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.43 139.27 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -127.97 150.61 49.83 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.474 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.22 -26.9 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.16 -34.0 88.78 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 123.976 0.798 . . . . 0.0 113.352 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.32 -44.03 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 CA-C-N 118.199 0.999 . . . . 0.0 114.015 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.14 -51.94 40.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.956 1.378 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 57.73 -20.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.87 2.868 . . . . 0.0 116.607 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -141.44 22.79 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.528 1.531 . . . . 0.0 111.217 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -135.37 157.39 47.03 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.781 1.232 . . . . 0.0 108.335 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.72 152.2 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.073 0.949 . . . . 0.0 109.531 -169.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.15 -21.4 61.59 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.5 16.33 32.12 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 118.26 -1.3 . . . . 0.0 112.781 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 55.13 176.47 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.757 2.023 . . . . 0.0 113.34 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -141.14 -38.78 0.41 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.636 1.174 . . . . 0.0 111.021 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 127.603 2.361 . . . . 0.0 106.265 -175.218 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 139.94 57.47 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.108 0.563 . . . . 0.0 109.918 173.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -75.18 17.38 0.25 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.58 1.152 . . . . 0.0 113.13 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.63 -1.16 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.524 1.93 . . . . 0.0 110.55 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 39.84 -82.5 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.622 3.169 . . . . 0.0 115.499 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 11.95 0.16 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.952 2.101 . . . . 0.0 114.686 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.25 -7.16 5.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.442 1.897 . . . . 0.0 114.846 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.49 -26.4 63.4 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.955 -1.091 . . . . 0.0 113.553 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 p -57.63 -47.41 82.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.118 0.967 . . . . 0.0 110.716 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -68.3 -37.04 80.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.499 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.77 -40.95 85.43 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.695 1.134 . . . . 0.0 110.89 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.89 -42.28 90.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.516 0.598 . . . . 0.0 111.021 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.9 -39.88 95.21 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.505 -0.747 . . . . 0.0 111.369 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -59.98 -52.33 62.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.188 1.395 . . . . 0.0 108.053 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.22 -44.58 92.28 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.191 0.596 . . . . 0.0 111.378 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 p -83.24 4.37 27.19 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -148.77 -49.48 0.15 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 113.536 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -81.63 -39.63 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 118.714 0.688 . . . . 0.0 109.774 -170.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.03 113.39 2.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -69.57 127.04 31.59 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 m -144.82 169.18 18.54 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.863 0.865 . . . . 0.0 110.69 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 67.11 161.46 0.17 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.523 1.929 . . . . 0.0 111.505 174.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.37 -31.74 66.09 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.033 -1.042 . . . . 0.0 111.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 p -70.87 -9.23 57.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.727 1.611 . . . . 0.0 113.262 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m 52.21 42.41 30.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.416 1.007 . . . . 0.0 111.455 -169.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -68.81 140.57 55.26 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -83.27 113.03 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -90.32 157.21 17.76 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 168.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -109.14 -19.35 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.41 -39.27 94.6 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.901 -1.124 . . . . 0.0 113.099 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.38 24.28 0.95 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.39 1.472 . . . . 0.0 113.734 171.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.26 -58.46 7.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.974 1.387 . . . . 0.0 108.871 174.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.2 t0 178.94 174.15 0.7 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.453 3.101 . . . . 0.0 104.617 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.97 18.85 0.09 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.152 1.381 . . . . 0.0 111.846 170.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.4 154.9 40.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.724 1.209 . . . . 0.0 110.312 -174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.11 151.36 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 126.51 1.924 . . . . 0.0 109.72 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -67.27 -15.21 63.56 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.33 26.06 62.34 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.622 -1.099 . . . . 0.0 111.899 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 57.15 171.05 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.049 2.539 . . . . 0.0 113.924 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -139.93 -8.07 1.22 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 118.383 -0.818 . . . . 0.0 113.017 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.662 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 tpp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 176.21 10.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.334 1.454 . . . . 0.0 108.091 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -127.75 32.43 4.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.975 1.31 . . . . 0.0 110.033 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.33 -16.52 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 125.552 1.541 . . . . 0.0 112.852 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -60.5 157.39 14.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.06 0.944 . . . . 0.0 111.362 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -52.66 -51.62 59.4 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.089 1.356 . . . . 0.0 112.204 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -167.3 177.51 6.06 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.69 1.996 . . . . 0.0 106.526 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.79 -8.72 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.512 1.125 . . . . 0.0 113.371 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -52.68 -46.7 67.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.668 1.187 . . . . 0.0 109.795 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -62.28 -45.92 91.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.37 -44.63 88.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.09 0.859 . . . . 0.0 109.868 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -62.28 -48.25 80.72 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.393 0.677 . . . . 0.0 110.838 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -64.19 -41.41 97.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.764 0.711 . . . . 0.0 110.795 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -55.66 -55.16 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.81 -42.8 99.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.72 0.408 . . . . 0.0 111.718 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -88.0 -22.47 24.24 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -169.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.54 -7.81 2.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt -114.72 -44.48 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.84 1.2 . . . . 0.0 109.644 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.04 113.47 1.37 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -87.88 48.02 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.547 1.139 . . . . 0.0 110.077 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -143.23 24.65 1.77 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -54.91 -41.1 70.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.273 0.942 . . . . 0.0 111.75 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -158.53 -64.57 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -81.96 -174.99 5.38 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.42 64.34 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.092 1.357 . . . . 0.0 110.774 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -132.31 140.5 48.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.635 1.574 . . . . 0.0 108.205 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.43 142.97 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.307 1.043 . . . . 0.0 110.538 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -141.45 137.45 32.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.06 32.37 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.56 24.14 0.04 OUTLIER Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.23 -51.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.122 1.461 . . . . 0.0 111.129 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -128.83 -15.46 4.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.899 1.28 . . . . 0.0 111.332 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.44 115.51 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.767 2.827 . . . . 0.0 113.413 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.06 -8.43 0.56 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.916 2.486 . . . . 0.0 114.745 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.81 135.53 51.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.06 150.16 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.2 1.0 . . . . 0.0 111.407 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -72.53 -13.6 61.45 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.81 38.15 65.96 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.58 177.68 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.34 2.256 . . . . 0.0 113.853 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -131.79 -4.27 3.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.319 1.047 . . . . 0.0 111.551 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.524 -1.227 . . . . 0.0 108.787 172.408 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.14 149.23 52.45 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.137 0.975 . . . . 0.0 110.848 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -74.75 19.79 0.13 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.727 1.611 . . . . 0.0 113.051 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 p -132.72 9.67 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.128 1.371 . . . . 0.0 110.799 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -77.47 40.75 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.129 1.372 . . . . 0.0 110.209 169.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -61.97 -33.53 74.47 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.14 -0.975 . . . . 0.0 111.911 -172.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -160.85 174.12 14.33 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.468 1.907 . . . . 0.0 106.414 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -103.37 12.96 34.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.941 1.696 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -53.72 -50.21 66.44 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.48 1.512 . . . . 0.0 110.704 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.08 -41.48 95.02 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.2 -37.94 89.2 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.4 1.0 . . . . 0.0 111.122 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.26 -42.35 99.25 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.863 0.465 . . . . 0.0 110.553 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -70.64 -39.91 73.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.75 0.704 . . . . 0.0 111.18 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -54.92 -50.98 57.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.28 -45.01 92.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.889 0.876 . . . . 0.0 111.238 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -91.4 -12.23 35.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -169.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -131.16 -14.51 3.4 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -121.99 -43.62 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.393 0.997 . . . . 0.0 110.721 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.15 119.92 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -64.87 125.45 24.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 m -147.23 -169.52 3.33 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.337 1.055 . . . . 0.0 111.379 -169.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 64.83 7.85 4.18 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.505 1.922 . . . . 0.0 113.305 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp 52.44 27.13 4.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.768 1.227 . . . . 0.0 111.444 -169.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -135.48 16.35 3.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.178 1.391 . . . . 0.0 109.899 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m 52.92 28.41 6.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.921 1.688 . . . . 0.0 112.547 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.3 m -72.5 131.08 42.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.25 134.38 29.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -120.26 104.81 10.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.39 -30.47 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.14 -35.51 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.824 1.202 . . . . 0.0 114.007 -170.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.05 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.406 1.103 . . . . 0.0 114.216 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -71.78 -51.77 20.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.921 1.36 . . . . 0.0 110.688 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 49.94 21.8 0.77 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.3 2.24 . . . . 0.0 114.172 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -154.82 12.43 0.38 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.133 . . . . 0.0 111.578 -170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -149.24 160.35 43.46 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.665 1.186 . . . . 0.0 109.173 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.9 147.0 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.448 1.099 . . . . 0.0 108.275 -169.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -64.31 -17.38 63.61 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.93 40.04 2.06 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 118.957 0.799 . . . . 0.0 113.05 169.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -51.37 160.25 0.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.804 0.842 . . . . 0.0 112.715 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -136.23 -10.96 1.95 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -169.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 120.076 1.307 . . . . 0.0 109.893 177.878 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.08 50.46 7.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.128 1.371 . . . . 0.0 110.851 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -78.78 28.76 0.21 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.379 1.872 . . . . 0.0 111.484 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.39 -30.66 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.088 1.755 . . . . 0.0 113.19 -171.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.67 164.44 36.93 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.922 1.289 . . . . 0.0 108.753 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -22.13 66.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -155.01 169.13 24.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.762 0.825 . . . . 0.0 109.531 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.86 11.0 0.74 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.92 2.088 . . . . 0.0 111.909 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -41.63 60.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.676 1.191 . . . . 0.0 110.761 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -60.84 -49.73 76.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.544 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.66 -36.16 81.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.159 0.436 . . . . 0.0 110.652 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.38 -51.36 69.82 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 118.961 -0.542 . . . . 0.0 109.923 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.18 -41.58 97.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.89 0.768 . . . . 0.0 110.742 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.25 -54.22 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.81 -47.02 88.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.267 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -92.98 -9.12 41.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.545 1.066 . . . . 0.0 113.215 -169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -132.8 -13.36 2.88 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -170.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.29 -43.07 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.728 1.149 . . . . 0.0 110.322 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -59.65 122.46 14.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -73.11 52.12 0.33 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.128 1.371 . . . . 0.0 111.993 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -147.33 19.94 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -169.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -59.56 -37.75 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.428 1.467 . . . . 0.0 111.759 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.13 -49.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 109.726 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -138.6 -66.86 0.47 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -137.12 11.39 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.313 1.445 . . . . 0.0 111.439 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.48 145.24 55.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.217 1.407 . . . . 0.0 108.589 169.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.55 133.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -112.41 150.99 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -86.68 -25.97 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.23 -33.3 85.54 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.171 0.891 . . . . 0.0 113.714 -169.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -45.05 0.03 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.267 1.034 . . . . 0.0 113.459 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.31 -64.41 0.9 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.91 1.355 . . . . 0.0 110.26 -174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.6 t70 48.52 20.95 0.35 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.562 1.945 . . . . 0.0 113.295 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -157.78 12.07 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.891 1.276 . . . . 0.0 111.812 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -145.12 156.06 43.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.417 1.087 . . . . 0.0 108.486 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.52 152.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.176 0.99 . . . . 0.0 108.973 -169.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -66.17 -28.0 68.44 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.82 16.99 8.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.05 -1.417 . . . . 0.0 113.205 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 59.08 161.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.674 2.39 . . . . 0.0 114.487 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -140.61 15.74 2.35 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.928 1.291 . . . . 0.0 111.762 171.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.277 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ptm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.56 0.219 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 178.83 9.6 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.408 1.483 . . . . 0.0 108.24 173.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -119.93 22.68 11.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.613 1.165 . . . . 0.0 110.814 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.54 101.48 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.203 1.401 . . . . 0.0 108.372 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.7 169.85 20.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.481 1.912 . . . . 0.0 107.485 -174.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -39.09 2.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.106 0.962 . . . . 0.0 108.972 169.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.03 160.09 13.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.207 2.203 . . . . 0.0 105.354 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.46 -20.28 19.25 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.06 0.846 . . . . 0.0 112.758 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.9 m -49.74 -38.07 32.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.399 1.08 . . . . 0.0 111.339 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.43 -49.38 77.78 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.564 1.074 . . . . 0.0 109.556 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.53 -42.95 99.58 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.175 0.59 . . . . 0.0 109.894 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -64.18 -41.11 97.25 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.522 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -75.16 -33.14 61.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.924 1.238 . . . . 0.0 111.382 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.9 -52.19 58.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.75 -47.53 84.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.67 0.388 . . . . 0.0 111.233 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.6 p -83.26 -16.18 47.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.11 -14.08 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.652 1.115 . . . . 0.0 113.955 -169.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt -119.24 -43.37 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.371 0.987 . . . . 0.0 109.917 -172.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.65 138.8 53.33 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.2 144.13 50.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.617 1.099 . . . . 0.0 108.705 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -58.77 158.2 8.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.444 0.697 . . . . 0.0 111.304 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -60.07 -29.67 68.7 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -173.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -145.13 12.71 1.41 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.111 0.869 . . . . 0.0 113.245 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -146.0 162.29 38.18 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.33 1.052 . . . . 0.0 109.351 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -74.94 0.39 15.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.672 1.189 . . . . 0.0 113.109 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.6 p -71.81 -179.48 2.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.986 1.314 . . . . 0.0 110.412 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -127.98 125.67 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.08 95.42 9.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 169.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.05 -24.35 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.75 13.36 66.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.008 1.289 . . . . 0.0 112.031 172.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.7 55.97 0.74 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.259 1.885 . . . . 0.0 108.743 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 68.87 -15.51 0.25 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.72 2.408 . . . . 0.0 114.456 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 50.25 32.35 6.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.899 1.28 . . . . 0.0 111.696 -171.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.21 7.67 3.39 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.301 1.44 . . . . 0.0 111.788 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.71 160.1 40.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.999 1.32 . . . . 0.0 108.039 170.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t -132.38 149.97 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.335 1.054 . . . . 0.0 108.173 -169.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -62.73 -16.4 57.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.91 31.09 33.23 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 51.57 161.74 0.0 OUTLIER 'General case' 0 C--N 1.343 0.287 0 C-N-CA 129.794 3.237 . . . . 0.0 116.561 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -132.75 6.83 4.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.758 169.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.896 0.878 . . . . 0.0 108.677 169.242 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 175.55 12.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.397 1.079 . . . . 0.0 110.055 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -133.5 33.27 3.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.563 1.545 . . . . 0.0 109.551 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.24 -35.69 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.912 1.285 . . . . 0.0 111.432 -175.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -159.92 175.37 13.13 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 106.707 170.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 18.45 0.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.023 1.329 . . . . 0.0 113.279 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.88 74.71 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.269 1.828 . . . . 0.0 112.859 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -92.03 -12.44 33.18 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -51.13 58.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.282 1.833 . . . . 0.0 111.081 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -73.33 -31.43 63.98 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.243 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.51 -39.59 91.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.887 1.221 . . . . 0.0 110.617 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -64.11 -46.68 83.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.32 0.509 . . . . 0.0 110.45 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.59 -43.38 97.45 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.387 0.54 . . . . 0.0 110.913 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.53 -50.95 70.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 124.438 1.095 . . . . 0.0 108.413 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.35 -45.68 90.72 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.495 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -84.46 -22.01 30.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.32 0.964 . . . . 0.0 113.162 -171.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.56 -14.84 7.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -169.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.3 -41.88 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 119.802 1.183 . . . . 0.0 110.566 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.12 112.78 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.62 123.43 19.68 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 169.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 m -140.93 164.38 30.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.042 0.937 . . . . 0.0 111.494 -169.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 63.99 166.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.124 2.17 . . . . 0.0 112.495 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.21 -23.36 63.96 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.064 -1.022 . . . . 0.0 111.838 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -70.37 -11.29 60.81 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.939 1.296 . . . . 0.0 112.543 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m 53.33 34.05 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.998 1.319 . . . . 0.0 111.793 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.49 144.43 28.72 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.687 1.595 . . . . 0.0 109.479 -177.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.33 135.48 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -130.45 132.04 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 169.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt -60.5 -31.76 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.62 -26.86 33.04 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.508 1.528 . . . . 0.0 114.045 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.33 -39.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 CA-C-N 119.337 1.569 . . . . 0.0 115.104 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -53.29 23.29 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.018 1.909 . . . . 0.0 109.758 -172.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 48.14 18.97 0.17 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.485 2.314 . . . . 0.0 114.091 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.99 11.75 0.23 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.487 1.115 . . . . 0.0 111.787 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -146.92 160.03 42.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.432 1.093 . . . . 0.0 108.707 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t -132.7 150.44 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.42 1.088 . . . . 0.0 108.612 -169.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -68.08 -13.07 61.92 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.75 54.59 30.19 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -61.92 166.97 4.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.1 0.96 . . . . 0.0 112.447 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -135.22 4.58 3.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.305 1.042 . . . . 0.0 112.667 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 116.107 -1.901 . . . . 0.0 108.083 -169.27 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.73 167.74 19.24 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.77 0.828 . . . . 0.0 111.691 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -122.92 43.59 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.053 1.741 . . . . 0.0 107.699 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.95 -18.6 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.495 1.918 . . . . 0.0 112.803 -169.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -61.68 154.89 24.04 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.821 0.737 . . . . 0.0 110.853 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -54.67 -43.99 72.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.879 0.472 . . . . 0.0 111.759 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 176.99 164.49 0.5 Allowed 'General case' 0 C--O 1.238 0.493 0 C-N-CA 128.891 2.877 . . . . 0.0 104.937 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.77 -15.77 3.59 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -41.64 48.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.331 1.053 . . . . 0.0 111.773 169.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -63.37 -43.54 97.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.659 0.663 . . . . 0.0 110.017 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.54 -34.76 78.63 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.079 0.4 . . . . 0.0 110.487 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.96 -48.15 81.69 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.972 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -61.55 -42.98 99.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.623 1.101 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.3 -52.91 26.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.25 -49.07 75.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.206 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p -88.63 -10.19 49.5 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.449 1.022 . . . . 0.0 113.727 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -127.42 -13.99 5.38 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.476 1.034 . . . . 0.0 113.537 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt -121.98 -43.47 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 119.653 1.115 . . . . 0.0 110.098 -176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -58.57 117.57 4.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -93.59 -26.36 17.14 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 111.474 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 p -69.41 -25.34 64.09 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.803 0.729 . . . . 0.0 112.585 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -57.98 -32.12 67.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.673 0.669 . . . . 0.0 112.088 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -127.71 40.9 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.878 0.871 . . . . 0.0 109.581 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m 52.28 65.18 1.58 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.843 1.257 . . . . 0.0 111.213 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m 65.19 40.82 4.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.059 1.343 . . . . 0.0 111.34 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -133.61 135.36 44.18 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 170.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 mm -73.31 140.76 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 109.569 -169.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.51 153.17 51.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 168.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.95 -43.1 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.02 -41.35 93.12 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.64 -46.4 7.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.071 -0.849 . . . . 0.0 113.014 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -146.45 -36.13 0.26 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.431 1.115 . . . . 0.0 113.273 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t0 52.33 26.78 4.29 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.776 1.631 . . . . 0.0 112.704 -169.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -151.04 13.4 0.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.771 1.229 . . . . 0.0 111.856 -170.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -152.19 162.44 41.13 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.948 1.299 . . . . 0.0 108.434 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t -135.06 146.7 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -171.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 120' ' ' LEU . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -60.19 -24.34 64.71 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.45 38.71 3.65 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -57.95 160.56 4.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.474 1.11 . . . . 0.0 112.584 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -138.89 10.71 2.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -169.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.128 -172.198 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.61 3.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.366 0.666 . . . . 0.0 110.845 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -135.66 27.39 3.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.489 1.516 . . . . 0.0 109.753 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.6 m -110.52 -32.58 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 124.681 1.192 . . . . 0.0 110.511 -174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.3 pm0 -75.51 158.68 32.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.557 1.543 . . . . 0.0 109.54 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -55.77 -42.67 75.84 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.984 0.913 . . . . 0.0 112.565 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -167.49 175.08 7.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.266 1.826 . . . . 0.0 106.841 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.79 -4.33 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 113.342 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -52.47 -49.86 63.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.427 1.091 . . . . 0.0 109.636 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.88 -36.29 79.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.094 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.56 -45.7 84.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.829 1.195 . . . . 0.0 110.182 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -62.18 -47.64 83.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.522 0.329 . . . . 0.0 110.974 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 mmm-85 -62.32 -43.14 99.5 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.939 0.79 . . . . 0.0 110.867 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.81 -55.15 21.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -60.6 -41.56 95.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.124 0.57 . . . . 0.0 111.556 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -90.31 -21.14 22.19 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.42 -6.93 2.25 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -116.33 -44.03 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 119.607 1.094 . . . . 0.0 109.233 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.82 114.13 2.63 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.8 -32.29 40.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.268 0.486 . . . . 0.0 110.124 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 87.1 0.58 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.183 0.993 . . . . 0.0 110.678 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -138.08 167.64 21.39 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 128.175 2.59 . . . . 0.0 105.469 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -56.93 -24.06 49.78 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.643 0.656 . . . . 0.0 112.39 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 p -86.08 -14.25 44.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.239 1.416 . . . . 0.0 112.668 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m 52.97 39.93 30.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.012 1.325 . . . . 0.0 112.116 -169.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.0 p -133.05 163.29 29.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.934 1.294 . . . . 0.0 109.555 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.04 137.9 22.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 122.164 0.983 . . . . 0.0 108.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -133.27 151.85 51.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 168.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 HG22 ' A' ' 82' ' ' VAL . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 65' ' ' VAL . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.38 -26.62 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.78 -34.15 59.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.399 -0.813 . . . . 0.0 112.098 -174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.61 165.74 31.5 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? 53.39 31.01 11.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.242 1.017 . . . . 0.0 112.537 -169.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -50.83 -38.28 47.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.034 1.334 . . . . 0.0 112.14 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.95 -22.75 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.836 0.854 . . . . 0.0 112.641 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -97.49 62.14 1.69 Allowed 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.1 0.96 . . . . 0.0 108.514 -175.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t -52.09 145.2 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 125.014 1.326 . . . . 0.0 110.147 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -66.58 -15.89 63.76 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.05 53.55 14.31 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -56.79 165.33 1.23 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.222 1.009 . . . . 0.0 112.144 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -112.8 -24.03 9.81 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 117.653 -1.165 . . . . 0.0 113.916 -169.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 120.082 1.31 . . . . 0.0 110.391 -171.89 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.63 165.28 28.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.64 1.976 . . . . 0.0 107.424 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -100.72 18.79 18.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.963 0.905 . . . . 0.0 111.013 170.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.86 49.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.146 1.778 . . . . 0.0 107.286 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -54.49 -22.51 13.04 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.161 -1.587 . . . . 0.0 114.975 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -3.4 31.6 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.74 -1.07 2.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.92 -28.56 64.38 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.815 -1.178 . . . . 0.0 113.133 -173.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.0 p -54.21 -48.97 70.45 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.121 1.368 . . . . 0.0 110.972 170.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -75.2 -37.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.984 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -41.19 83.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 120.0 1.273 . . . . 0.0 110.774 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.23 -43.29 99.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.175 0.443 . . . . 0.0 110.643 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -71.78 -32.72 67.94 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.306 -0.871 . . . . 0.0 112.619 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.01 -50.34 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -60.75 -45.14 95.46 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.599 0.76 . . . . 0.0 110.822 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 6.73 14.52 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -150.2 -61.13 0.2 Allowed 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.511 1.051 . . . . 0.0 112.798 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt -69.76 -38.95 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.99 0.516 . . . . 0.0 111.169 -169.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -56.72 125.33 21.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -70.87 -15.54 62.63 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 m -143.95 157.3 44.44 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.167 1.348 . . . . 0.0 110.889 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -148.72 -43.76 0.15 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.762 1.225 . . . . 0.0 109.166 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -141.1 -62.27 0.48 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.17 166.67 21.96 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 168.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -78.5 34.45 0.21 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.396 1.478 . . . . 0.0 111.326 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -83.8 137.76 33.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.77 1.628 . . . . 0.0 109.032 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.28 131.35 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -128.64 131.19 48.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.13 -23.08 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.56 -42.74 94.22 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.204 0.907 . . . . 0.0 112.705 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.88 -31.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-N 117.828 0.814 . . . . 0.0 114.28 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -84.27 34.87 0.52 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.077 1.439 . . . . 0.0 111.255 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.0 -22.01 64.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.349 1.46 . . . . 0.0 112.074 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.65 -12.11 31.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 113.043 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -137.09 167.41 21.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.762 1.225 . . . . 0.0 110.084 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t -136.79 150.16 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -171.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -69.62 -20.26 63.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.79 31.35 49.55 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.746 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.59 168.34 0.09 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.089 2.556 . . . . 0.0 114.652 173.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -137.39 2.48 2.49 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.118 . . . . 0.0 112.232 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.531 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 85' ' ' ILE . 2.5 mt . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp . . . . . 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.916 0.865 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 119.026 -0.511 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' H ' ' HE3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.82 0.819 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.714 0.768 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 105' ' ' VAL . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 118.95 -0.547 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm . . . . . 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.474 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt . . . . . 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 122.196 0.998 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm . . . . . 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 118.912 -0.566 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 120' ' ' LEU . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 HG22 ' A' ' 82' ' ' VAL . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 65' ' ' VAL . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.4 158.66 42.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.992 1.317 . . . . 0.0 108.111 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -90.85 27.64 1.75 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.866 1.266 . . . . 0.0 112.122 -173.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 4' ' ' VAL . 10.9 m -74.71 60.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 127.254 2.222 . . . . 0.0 111.027 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -143.43 114.32 7.7 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.566 1.147 . . . . 0.0 108.564 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -38.44 82.02 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.334 -0.229 . . . . 0.0 110.565 170.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -171.47 168.06 6.56 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 127.785 2.434 . . . . 0.0 106.049 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -64.97 -0.1 1.43 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.055 1.342 . . . . 0.0 113.497 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -53.18 -43.83 67.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.391 1.076 . . . . 0.0 111.422 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -62.79 -48.18 80.23 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.71 -44.24 93.79 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 122.534 0.334 . . . . 0.0 110.225 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -68.48 -36.09 78.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.017 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -71.19 -34.02 70.5 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.774 1.624 . . . . 0.0 111.663 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.6 -53.16 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 169.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.51 -38.42 89.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.122 1.369 . . . . 0.0 112.75 -174.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -101.88 9.81 40.34 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.192 0.906 . . . . 0.0 112.063 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -146.82 -54.57 0.24 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.561 0.619 . . . . 0.0 111.5 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 mt -78.11 -42.48 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.107 -169.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.24 20.12 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.7 -37.95 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -109.76 0.94 19.08 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-O 122.476 1.131 . . . . 0.0 111.433 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.65 128.77 49.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.477 1.511 . . . . 0.0 110.606 -169.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -156.25 -19.65 0.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.666 1.587 . . . . 0.0 113.616 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.27 139.98 48.36 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 103.321 -2.844 . . . . 0.0 103.321 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -57.21 -34.53 68.64 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -169.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.23 -39.95 86.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.69 -43.32 72.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 121.941 -0.474 . . . . 0.0 109.75 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -56.31 -49.63 73.74 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.57 81.18 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.904 0.482 . . . . 0.0 110.652 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -65.31 -38.98 91.88 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 118.677 -0.678 . . . . 0.0 112.499 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.54 -51.07 61.26 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -57.15 -49.9 74.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.883 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.57 -48.57 77.08 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.759 0.824 . . . . 0.0 111.691 -176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -64.36 -50.01 69.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.152 0.433 . . . . 0.0 110.771 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -74.19 -32.77 63.19 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.688 -0.673 . . . . 0.0 111.46 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.8 -51.83 63.0 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.081 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.61 -47.28 76.8 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-N 120.389 1.45 . . . . 0.0 108.49 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.405 12.9 t0 -64.64 -31.94 73.38 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 114.406 -2.917 . . . . 0.0 112.631 -168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 m -72.38 -42.78 64.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.339 0.656 . . . . 0.0 110.309 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.13 138.66 55.87 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.616 1.167 . . . . 0.0 108.52 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -120.06 67.14 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.533 1.158 . . . . 0.0 108.214 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -55.68 159.99 4.53 Favored Pre-proline 0 CA--C 1.546 0.788 0 C-N-CA 125.585 1.554 . . . . 0.0 111.982 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.37 154.92 95.09 Favored 'Cis proline' 0 C--N 1.348 0.504 0 N-CA-C 110.23 -0.719 . . . . 0.0 110.23 -10.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -146.17 162.57 37.73 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -92.59 143.51 26.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.99 169.84 30.06 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 119.384 0.993 . . . . 0.0 111.771 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -99.03 123.0 43.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -81.86 99.33 8.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 169.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -88.57 67.96 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.96 131.65 47.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -170.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -55.95 131.12 46.37 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -61.98 155.96 22.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 122.135 0.969 . . . . 0.0 110.806 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -72.56 -28.0 62.55 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.864 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -77.1 -45.63 26.32 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.691 0.678 . . . . 0.0 110.969 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.3 -177.89 6.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 108.774 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 m -64.92 10.9 0.06 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.367 1.467 . . . . 0.0 113.727 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -70.91 -176.42 1.35 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.801 2.04 . . . . 0.0 109.855 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.22 134.97 64.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -172.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -114.39 96.02 5.56 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 170.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.98 153.4 40.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.732 -0.605 . . . . 0.0 110.929 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -148.79 145.36 27.53 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 m -97.28 127.0 42.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.21 155.92 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 122.612 1.196 . . . . 0.0 111.623 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -98.75 135.23 40.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 103.806 -2.665 . . . . 0.0 103.806 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.61 110.24 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.43 -33.63 42.37 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.256 0.622 . . . . 0.0 112.203 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.25 170.38 32.02 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 -171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.1 mtp -66.32 152.44 44.98 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 166.21 6.71 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.274 171.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.97 157.56 5.83 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.934 2.422 . . . . 0.0 112.739 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.95 -29.17 64.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.156 0.582 . . . . 0.0 111.676 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.29 -30.77 71.81 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.621 0.769 . . . . 0.0 111.753 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.13 -46.33 13.97 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.1 m -70.8 4.92 2.2 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.01 -23.03 44.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.987 1.315 . . . . 0.0 110.966 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -100.34 -39.55 7.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 123.807 0.843 . . . . 0.0 111.569 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -165.72 171.59 12.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -81.1 129.1 34.41 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 120.067 1.303 . . . . 0.0 108.786 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -138.2 158.95 43.29 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.978 0.911 . . . . 0.0 109.904 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.73 141.06 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.135 1.374 . . . . 0.0 108.415 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.91 137.5 37.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.96 151.25 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.112 0.965 . . . . 0.0 109.662 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.36 132.33 50.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -70.57 120.61 16.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 122.81 0.444 . . . . 0.0 110.431 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.26 -25.89 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.48 85.26 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.24 0.924 . . . . 0.0 113.485 -169.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.73 -48.97 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 CA-C-N 118.338 1.069 . . . . 0.0 113.911 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.8 -55.28 7.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.992 1.396 . . . . 0.0 110.509 -169.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 49.85 21.03 0.63 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.999 2.119 . . . . 0.0 114.337 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.33 12.31 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.38 1.072 . . . . 0.0 111.736 -170.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -148.52 160.72 42.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 108.942 -177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.42 148.84 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.266 1.026 . . . . 0.0 108.959 -169.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -138.34 -174.24 3.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.856 2.462 . . . . 0.0 108.413 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 m -129.85 143.11 50.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.25 157.53 45.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.737 1.615 . . . . 0.0 108.37 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -72.35 138.6 47.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.806 -1.554 . . . . 0.0 106.806 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.68 -29.52 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -61.09 -15.09 29.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.971 1.708 . . . . 0.0 113.485 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 11.61 14.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.649 1.18 . . . . 0.0 109.221 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.57 147.45 18.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 O-C-N 120.771 -1.206 . . . . 0.0 108.825 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -136.21 135.39 39.07 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 159.11 28.06 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.921 0.867 . . . . 0.0 110.702 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.36 131.22 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.67 39.72 14.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.97 1.708 . . . . 0.0 113.467 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -98.45 171.85 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.938 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -75.31 162.81 28.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.057 0.932 . . . . 0.0 110.26 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.81 -42.59 93.82 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.497 1.119 . . . . 0.0 111.507 -169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -69.88 -41.08 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 89.6 m -62.0 -47.2 85.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.31 -37.31 87.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.395 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.5 -41.05 89.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.48 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.39 88.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.078 0.854 . . . . 0.0 110.676 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.91 -51.16 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.3 85.3 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.851 0.461 . . . . 0.0 110.631 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.57 -39.07 93.45 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.36 0.664 . . . . 0.0 111.41 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -66.84 -39.24 87.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.381 0.272 . . . . 0.0 110.831 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.24 -31.95 73.08 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.607 -0.683 . . . . 0.0 110.796 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.73 -48.52 71.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.229 0.922 . . . . 0.0 109.634 170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -56.36 -41.1 75.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.456 1.025 . . . . 0.0 111.762 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.2 -51.89 68.03 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.301 1.04 . . . . 0.0 110.109 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.95 74.77 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.783 0.433 . . . . 0.0 111.996 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -63.28 -31.61 72.8 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.157 0.983 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.88 27.48 7.42 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.681 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 59.4 170.84 0.07 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.686 2.394 . . . . 0.0 114.667 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -137.17 13.89 3.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.612 1.565 . . . . 0.0 111.149 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 124.512 1.125 . . . . 0.0 108.564 169.056 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.7 156.95 43.07 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.11 1.364 . . . . 0.0 108.552 175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -138.28 25.81 2.67 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.382 1.073 . . . . 0.0 111.143 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.31 -16.41 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.611 1.164 . . . . 0.0 112.603 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.3 135.87 49.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.744 1.217 . . . . 0.0 111.349 -173.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -65.69 -39.6 91.46 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.776 0.43 . . . . 0.0 111.162 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -172.52 156.02 3.56 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 127.158 2.183 . . . . 0.0 106.338 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.5 -25.06 34.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.486 1.114 . . . . 0.0 112.533 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -50.8 -38.97 51.48 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.564 1.145 . . . . 0.0 111.383 171.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -68.8 -44.2 74.07 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 121.424 -0.798 . . . . 0.0 109.803 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.58 -42.65 92.97 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.965 0.506 . . . . 0.0 109.776 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.85 -53.05 62.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.841 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -69.16 -32.63 72.1 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 119.537 1.062 . . . . 0.0 111.831 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.79 -54.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 120.21 1.368 . . . . 0.0 107.333 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.91 -45.49 92.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.273 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.3 p -97.02 -10.46 26.12 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.021 1.282 . . . . 0.0 114.187 -169.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.32 -14.12 3.83 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.209 0.913 . . . . 0.0 112.16 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.8 -47.42 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.546 1.067 . . . . 0.0 110.862 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 pt -128.23 24.98 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -169.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.62 -36.3 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -112.75 2.21 15.94 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 124.169 0.988 . . . . 0.0 111.166 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.93 128.92 55.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.163 1.385 . . . . 0.0 111.454 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -144.91 -31.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.044 1.338 . . . . 0.0 109.624 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.68 143.54 48.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.92 60.21 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -169.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.22 -41.38 85.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.39 -45.52 69.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.905 -0.497 . . . . 0.0 109.782 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.15 -45.66 92.29 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 118.606 -0.711 . . . . 0.0 109.241 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.96 80.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.208 0.458 . . . . 0.0 110.355 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.8 mmt -64.98 -44.26 89.88 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.49 -48.89 81.63 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -62.29 -45.84 91.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.019 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -56.0 -47.79 77.1 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.475 1.11 . . . . 0.0 111.465 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -63.07 -47.12 84.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.015 0.37 . . . . 0.0 110.27 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.53 -40.83 80.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.68 0.392 . . . . 0.0 111.16 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.17 -51.35 64.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 116.664 -1.636 . . . . 0.0 109.351 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.2 -47.2 75.61 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-N 119.93 1.241 . . . . 0.0 108.525 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.7 t0 -63.92 -31.18 72.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 114.734 -2.786 . . . . 0.0 112.765 -168.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.8 m -74.92 -41.26 60.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.345 0.658 . . . . 0.0 110.283 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.35 138.27 56.63 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.851 1.26 . . . . 0.0 108.514 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -120.64 65.6 0.84 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 122.68 1.228 . . . . 0.0 108.282 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -55.57 160.8 3.57 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.982 1.713 . . . . 0.0 112.264 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.85 157.05 97.33 Favored 'Cis proline' 0 C--N 1.349 0.567 0 CA-C-N 119.16 0.736 . . . . 0.0 110.254 -10.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -148.67 160.89 42.72 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.335 0.654 . . . . 0.0 109.616 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.0 ttt -88.42 141.84 28.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.02 169.63 30.09 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 119.16 0.891 . . . . 0.0 111.807 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -101.97 126.1 48.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.44 109.62 16.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.518 -2.031 . . . . 0.0 105.518 169.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -79.01 66.38 4.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.355 1.062 . . . . 0.0 108.411 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -68.37 129.12 38.99 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.814 0.846 . . . . 0.0 109.076 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -84.89 7.28 21.55 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -84.66 15.7 3.67 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.891 -1.131 . . . . 0.0 113.795 -169.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -70.69 -174.12 0.86 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 109.331 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.3 141.15 4.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.795 0.838 . . . . 0.0 110.573 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.3 m 53.85 -98.85 0.08 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -169.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -146.02 30.52 1.05 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.384 1.474 . . . . 0.0 109.422 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.3 p -72.22 162.28 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.3 -0.875 . . . . 0.0 110.441 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -82.22 138.76 18.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 O-C-N 121.453 -0.78 . . . . 0.0 109.008 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -123.15 150.71 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.81 113.05 19.6 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -121.65 124.99 45.61 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -70.75 131.96 44.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.044 0.538 . . . . 0.0 109.58 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 m -142.36 159.48 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 122.225 1.012 . . . . 0.0 109.562 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.29 113.61 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.16 125.54 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.91 -29.37 12.98 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.99 167.72 23.83 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 108.388 -1.885 . . . . 0.0 108.388 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.76 151.6 41.67 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 169.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.07 168.64 4.47 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.04 0.536 . . . . 0.0 110.246 169.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.56 155.59 7.29 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.713 2.275 . . . . 0.0 112.569 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -55.61 -30.17 60.43 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.529 0.732 . . . . 0.0 112.593 175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.62 -36.2 82.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.044 0.838 . . . . 0.0 111.177 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -78.28 -40.55 36.64 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.54 -0.02 9.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.38 -20.96 36.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.276 1.431 . . . . 0.0 110.479 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -100.17 -44.93 5.8 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 124.186 0.994 . . . . 0.0 109.204 -169.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -163.62 169.38 18.68 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.778 1.631 . . . . 0.0 106.884 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -76.47 121.38 23.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.973 1.26 . . . . 0.0 108.218 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.76 156.01 45.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.551 1.14 . . . . 0.0 109.681 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.42 140.56 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.36 1.464 . . . . 0.0 108.247 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.05 139.25 37.0 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.0 m -141.1 140.08 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.49 137.31 45.76 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.47 142.19 44.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 -173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 85' ' ' ILE . 2.5 mt -126.77 -20.9 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.126 0.97 . . . . 0.0 110.56 169.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.46 -29.74 4.64 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 121.04 -1.038 . . . . 0.0 113.942 -169.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.21 -30.68 3.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.883 1.23 . . . . 0.0 111.696 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -143.51 -177.84 5.59 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.865 2.066 . . . . 0.0 106.599 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -142.03 10.67 1.96 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.743 0.817 . . . . 0.0 111.389 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -150.41 24.33 0.8 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.027 0.931 . . . . 0.0 111.859 -169.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -141.67 157.6 44.86 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 109.868 -175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.16 147.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.017 1.327 . . . . 0.0 108.012 -170.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.31 -179.31 5.92 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.714 2.006 . . . . 0.0 108.728 -173.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -128.01 137.07 52.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.08 159.0 38.87 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.186 1.394 . . . . 0.0 107.92 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -69.66 143.76 53.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 169.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.04 -31.42 69.95 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -60.25 -28.14 67.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.269 1.828 . . . . 0.0 112.541 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -2.79 57.67 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.647 1.579 . . . . 0.0 111.142 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mm -112.79 148.44 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.873 1.269 . . . . 0.0 108.854 -169.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.41 118.63 18.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.322 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.06 151.86 40.09 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.893 -0.505 . . . . 0.0 110.06 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.7 mt -119.09 129.58 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.2 38.44 10.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.041 1.737 . . . . 0.0 113.287 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.36 172.55 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.235 0.614 . . . . 0.0 111.078 -174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.32 158.32 36.14 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.455 0.702 . . . . 0.0 110.901 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.37 -40.24 77.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.87 -44.98 68.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.176 0.898 . . . . 0.0 110.143 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.8 m -59.77 -44.03 94.08 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.936 -0.477 . . . . 0.0 109.839 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.5 -46.02 91.75 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.78 -42.17 98.65 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.621 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.02 84.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.302 0.956 . . . . 0.0 111.18 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.59 -50.19 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.5 84.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.283 0.492 . . . . 0.0 110.872 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 24.3 t70 -64.79 -43.63 92.58 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.944 0.898 . . . . 0.0 111.374 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -60.34 -40.92 92.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 119.21 -0.424 . . . . 0.0 110.374 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.1 mt -67.02 -43.21 83.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.308 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.254 5.0 p90 -73.34 -31.88 64.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 120.27 1.396 . . . . 0.0 111.495 175.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -61.89 -39.46 92.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.792 1.178 . . . . 0.0 110.364 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.85 -45.38 86.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.91 0.884 . . . . 0.0 109.549 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.69 69.3 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.871 0.869 . . . . 0.0 112.844 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.88 -19.84 66.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.93 0.786 . . . . 0.0 112.142 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.23 -16.18 49.79 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.353 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . 0.319 12.9 p90 41.8 -152.98 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.885 2.474 . . . . 0.0 113.933 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -128.78 -57.59 1.18 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.695 -169.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.732 -178.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.91 156.68 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.948 1.299 . . . . 0.0 108.527 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.56 25.82 2.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.015 0.926 . . . . 0.0 111.468 -172.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -66.81 -26.26 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.75 1.22 . . . . 0.0 112.506 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.8 162.61 25.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.696 1.198 . . . . 0.0 112.388 -170.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.6 -45.7 91.69 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.815 0.846 . . . . 0.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -169.55 164.72 10.39 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.04 1.736 . . . . 0.0 107.017 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.23 -20.5 4.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.82 0.848 . . . . 0.0 112.899 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -43.4 -43.06 4.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.915 1.686 . . . . 0.0 111.101 169.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -66.22 -49.12 68.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.058 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.06 -39.91 93.95 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.199 0.599 . . . . 0.0 110.147 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -58.72 -53.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.747 0.819 . . . . 0.0 109.522 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -64.69 -34.99 79.61 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.169 0.441 . . . . 0.0 111.896 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.45 -55.71 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 172.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.23 -44.16 92.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.96 -0.543 . . . . 0.0 112.166 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 p -82.39 -9.86 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.623 1.101 . . . . 0.0 113.294 -169.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.96 -53.35 0.48 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 119.299 0.954 . . . . 0.0 111.907 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.76 -43.5 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.627 0.649 . . . . 0.0 109.763 -169.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 pt -130.94 22.81 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -169.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.42 -36.79 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -111.61 6.61 20.1 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.468 1.128 . . . . 0.0 111.09 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.16 126.41 53.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.209 1.404 . . . . 0.0 111.371 -169.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -143.08 -28.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.572 1.549 . . . . 0.0 110.441 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -75.89 143.47 41.7 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -54.1 -41.31 68.12 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.667 -0.646 . . . . 0.0 112.264 -169.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.15 -35.77 76.7 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 124.194 0.934 . . . . 0.0 108.74 -172.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -70.08 -49.51 50.29 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.012 0.525 . . . . 0.0 109.694 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -61.45 -42.22 98.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.361 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.27 80.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 118.263 0.483 . . . . 0.0 110.654 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -70.13 -37.99 75.42 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.1 -48.6 81.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -60.28 -48.81 80.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.838 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -54.69 -51.21 66.24 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.222 1.009 . . . . 0.0 111.547 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -77.01 -30.51 55.88 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.479 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.83 -40.85 92.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.467 1.031 . . . . 0.0 110.321 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.97 -55.81 22.55 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 116.695 -1.622 . . . . 0.0 109.278 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.51 -45.9 73.41 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 119.967 1.258 . . . . 0.0 108.742 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.381 15.0 t0 -64.65 -31.41 72.62 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 114.796 -2.762 . . . . 0.0 112.611 -168.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 m -75.03 -42.42 57.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.149 0.58 . . . . 0.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.25 142.01 58.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.009 1.324 . . . . 0.0 109.175 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -121.99 67.98 0.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 122.538 1.161 . . . . 0.0 108.028 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -55.92 161.73 3.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.003 1.721 . . . . 0.0 112.648 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.9 156.79 93.01 Favored 'Cis proline' 0 C--N 1.35 0.632 0 N-CA-C 110.101 -0.769 . . . . 0.0 110.101 -10.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -143.75 157.89 44.07 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.638 0.653 . . . . 0.0 111.915 173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ttt -85.91 143.16 28.35 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.275 -0.891 . . . . 0.0 108.653 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.72 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 112.178 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -96.78 125.55 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -81.95 104.89 12.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.38 62.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.827 1.651 . . . . 0.0 106.733 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -54.7 110.53 0.66 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.341 1.056 . . . . 0.0 109.763 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -80.06 -11.34 59.78 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 118.64 0.655 . . . . 0.0 111.745 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -67.88 -12.18 60.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.53 141.89 56.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.226 0.921 . . . . 0.0 109.223 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 45.65 -132.79 0.95 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.98 1.312 . . . . 0.0 109.436 -174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -65.92 -59.85 3.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.565 1.146 . . . . 0.0 109.626 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 p -162.96 15.33 0.07 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.529 1.132 . . . . 0.0 111.607 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 p -72.46 144.84 47.94 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.23 -0.918 . . . . 0.0 110.204 -175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mm -69.31 142.85 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -133.67 145.34 49.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 169.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -121.83 134.65 54.89 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.558 0.617 . . . . 0.0 110.797 -169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -134.31 149.7 50.91 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -104.33 125.42 50.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.13 155.85 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 122.272 1.034 . . . . 0.0 111.19 -169.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -104.81 126.88 52.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 169.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.68 128.54 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.79 -22.41 22.14 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.056 0.542 . . . . 0.0 111.645 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.82 174.61 28.75 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -169.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.44 150.26 44.07 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.73 169.68 11.93 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.45 141.79 71.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.184 1.923 . . . . 0.0 113.717 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -58.43 -20.6 46.16 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.945 1.298 . . . . 0.0 111.693 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.97 -19.87 65.79 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.275 1.43 . . . . 0.0 112.613 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -126.63 -18.12 4.87 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 112.857 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.7 m -78.82 44.23 0.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.121 0.873 . . . . 0.0 111.921 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.2 mt -104.71 -3.87 23.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.749 1.22 . . . . 0.0 111.972 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -132.83 -22.62 2.08 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.316 1.046 . . . . 0.0 112.181 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -160.36 166.45 29.35 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.146 2.179 . . . . 0.0 105.511 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.3 mmt -94.62 143.06 26.74 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.831 0.741 . . . . 0.0 109.728 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.44 158.93 43.17 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.118 0.967 . . . . 0.0 110.208 -175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.42 144.04 29.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.721 1.608 . . . . 0.0 108.235 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.24 136.74 36.52 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.09 150.12 19.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 123.017 0.527 . . . . 0.0 109.96 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.69 135.27 51.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.72 125.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.051 0.54 . . . . 0.0 110.762 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.2 mt -81.61 -22.65 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.68 -43.0 94.59 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.122 0.868 . . . . 0.0 112.552 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.37 -28.25 0.04 OUTLIER Glycine 0 CA--C 1.528 0.851 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.472 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -83.24 35.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.611 1.705 . . . . 0.0 111.422 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.0 -22.65 64.73 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.143 1.377 . . . . 0.0 111.939 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.98 -11.67 30.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.321 1.449 . . . . 0.0 113.102 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -137.34 168.05 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.851 1.26 . . . . 0.0 110.037 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -134.24 155.67 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.325 1.45 . . . . 0.0 108.825 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -141.62 -177.95 5.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.898 2.079 . . . . 0.0 108.159 -169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.79 138.05 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.66 154.56 45.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.165 1.386 . . . . 0.0 107.721 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -70.19 133.76 47.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.58 -30.41 68.64 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 168.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -66.09 -5.13 8.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.783 2.433 . . . . 0.0 113.065 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.44 12.1 7.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.013 1.725 . . . . 0.0 109.478 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -114.49 148.31 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 O-C-N 120.62 -1.3 . . . . 0.0 108.302 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.66 135.75 40.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 158.78 30.29 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.866 0.841 . . . . 0.0 111.005 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.2 mt -124.74 131.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.45 40.91 15.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.101 1.761 . . . . 0.0 113.35 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.53 171.82 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 123.381 0.672 . . . . 0.0 111.39 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.02 158.82 35.28 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.743 0.817 . . . . 0.0 111.036 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.41 -41.16 79.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.51 -44.72 70.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.279 0.945 . . . . 0.0 110.154 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.9 m -58.41 -46.77 85.78 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.836 -0.54 . . . . 0.0 109.588 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.58 -37.6 88.11 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.472 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -45.9 90.83 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.649 0.779 . . . . 0.0 110.97 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.81 88.38 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.921 0.782 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.2 -53.62 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.73 -43.08 85.09 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.931 0.493 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . 19.0 t70 -64.52 -44.36 91.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.827 0.851 . . . . 0.0 111.385 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.78 -38.11 89.32 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.44 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.76 -41.53 78.75 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 118.064 -0.97 . . . . 0.0 111.53 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 115' ' ' ASP 0.252 3.4 p90 -72.54 -32.89 66.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.552 1.524 . . . . 0.0 111.262 173.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -59.19 -38.64 80.34 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.877 1.217 . . . . 0.0 110.248 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.66 -47.61 81.8 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.504 0.721 . . . . 0.0 109.748 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -19.86 65.47 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.354 1.062 . . . . 0.0 113.111 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.58 -17.33 59.86 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.487 1.04 . . . . 0.0 112.464 171.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.83 43.58 73.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -55.83 157.12 4.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.36 1.464 . . . . 0.0 112.305 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -142.0 10.13 1.95 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.178 0.991 . . . . 0.0 112.096 -171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.21 1.804 . . . . 0.0 110.079 -169.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.93 7.21 4.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.888 1.275 . . . . 0.0 111.683 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m 57.34 26.3 12.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.151 1.38 . . . . 0.0 111.892 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.28 21.98 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.229 1.011 . . . . 0.0 109.844 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -50.89 -36.27 37.26 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 127.28 2.232 . . . . 0.0 112.238 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 tpt85 -57.77 -23.63 53.16 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.556 1.142 . . . . 0.0 113.399 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.48 2.84 3.5 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.74 1.155 . . . . 0.0 113.709 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.8 -27.15 39.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.572 1.149 . . . . 0.0 113.963 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -42.38 95.66 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.039 0.936 . . . . 0.0 111.577 172.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.2 -39.11 63.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.971 173.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.27 -42.3 81.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.574 1.534 . . . . 0.0 110.609 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -52.14 66.68 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.078 0.399 . . . . 0.0 110.099 174.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -62.26 -42.71 99.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.405 0.548 . . . . 0.0 110.751 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.28 -52.34 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.68 1.192 . . . . 0.0 108.094 174.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.49 -48.02 80.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.667 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -85.01 -21.64 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.204 0.911 . . . . 0.0 113.041 -172.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -118.7 -16.07 9.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -170.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -123.33 -40.63 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 119.766 1.166 . . . . 0.0 110.908 -169.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 pt -123.88 17.31 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 118.965 0.802 . . . . 0.0 112.397 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.15 -39.33 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.24 -7.22 36.13 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.12 0.962 . . . . 0.0 111.853 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 134.67 35.08 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.147 1.379 . . . . 0.0 109.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -160.18 -20.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 125.776 1.63 . . . . 0.0 113.335 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -70.71 144.4 51.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -54.98 -40.25 69.86 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.627 -0.67 . . . . 0.0 111.681 -169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.05 -39.49 86.93 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.728 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -71.5 -44.55 64.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.783 -0.573 . . . . 0.0 110.121 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.68 -48.77 78.59 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.77 82.87 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.376 0.423 . . . . 0.0 110.806 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 mmt -68.94 -38.28 79.38 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.68 89.73 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -60.29 -47.5 85.76 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.335 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -60.24 -46.36 90.05 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.591 0.756 . . . . 0.0 111.29 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.56 -43.72 88.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.599 0.36 . . . . 0.0 110.446 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -67.96 -40.12 83.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.028 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.7 -51.23 63.54 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 116.344 -1.789 . . . . 0.0 109.447 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.3 -49.88 63.29 Favored 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 120.049 1.295 . . . . 0.0 108.383 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.398 12.9 t0 -64.62 -31.01 72.04 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 114.965 -2.694 . . . . 0.0 113.238 -168.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -77.04 -44.34 31.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 123.725 0.641 . . . . 0.0 109.661 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.56 145.52 51.75 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.361 1.064 . . . . 0.0 109.788 173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.14 51.74 1.86 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.496 1.518 . . . . 0.0 108.43 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.7 p90 -58.08 162.43 5.65 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 125.034 1.334 . . . . 0.0 111.553 170.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.67 152.01 78.66 Favored 'Cis proline' 0 C--N 1.352 0.743 0 CA-C-N 120.365 1.166 . . . . 0.0 112.067 -1.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -150.2 162.06 41.21 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 123.011 0.524 . . . . 0.0 109.788 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -86.6 142.37 28.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.07 169.23 30.77 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 118.986 0.812 . . . . 0.0 111.342 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -98.3 124.69 43.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -81.56 107.8 14.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 103.569 -2.752 . . . . 0.0 103.569 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -93.77 66.52 3.73 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -66.8 142.86 57.21 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -172.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.07 141.69 53.36 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.9 m -54.98 151.58 8.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.437 0.695 . . . . 0.0 111.17 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -61.02 -31.2 70.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.727 0.811 . . . . 0.0 112.876 -171.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -137.74 10.18 2.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -144.8 171.35 14.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.734 1.214 . . . . 0.0 109.052 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.3 m -82.67 -0.23 46.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.125 0.97 . . . . 0.0 112.723 178.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 p -72.93 -173.33 1.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.0 mm -120.64 144.65 28.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -132.25 111.13 11.13 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.34 149.09 27.92 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.285 0.634 . . . . 0.0 110.962 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -145.18 129.49 17.75 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 169.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.5 m -84.76 125.61 32.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.82 157.61 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 122.262 1.03 . . . . 0.0 111.318 -169.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -106.37 117.96 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 169.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.37 134.41 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.02 -26.48 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.833 0.453 . . . . 0.0 110.196 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.15 177.34 32.15 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.1 mtp -62.6 150.05 41.64 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.93 165.49 9.95 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.249 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.18 154.46 10.77 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.292 2.661 . . . . 0.0 112.826 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -57.5 -35.95 70.89 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 111.711 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.62 -27.92 69.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.944 0.898 . . . . 0.0 111.992 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.83 -14.73 27.36 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.669 0.787 . . . . 0.0 110.954 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.3 m -101.32 17.93 21.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.899 0.88 . . . . 0.0 110.764 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.5 -3.88 58.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.904 1.682 . . . . 0.0 112.199 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -135.65 -28.92 1.08 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.379 1.072 . . . . 0.0 112.36 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -161.46 166.52 27.08 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.943 1.697 . . . . 0.0 106.459 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -95.35 131.39 41.52 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.59 1.086 . . . . 0.0 109.546 -173.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -136.18 158.67 43.85 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.28 140.91 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 125.492 1.517 . . . . 0.0 107.838 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.91 135.22 34.98 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.14 148.54 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 123.049 0.539 . . . . 0.0 109.829 -173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.29 136.67 54.94 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.72 1.208 . . . . 0.0 107.807 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.28 119.16 17.13 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.974 0.51 . . . . 0.0 110.639 -175.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.3 mt -83.64 -26.31 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.15 -33.08 78.29 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.419 1.009 . . . . 0.0 113.68 -169.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.86 -50.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 CA-C-N 118.494 1.147 . . . . 0.0 114.089 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -76.49 -55.74 5.26 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.425 1.112 . . . . 0.0 111.646 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 48.62 25.66 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.975 1.71 . . . . 0.0 113.033 -170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -153.62 12.38 0.45 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -146.93 159.47 43.51 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.417 1.087 . . . . 0.0 108.77 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.6 t -134.53 150.44 30.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.282 1.033 . . . . 0.0 108.65 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -137.83 179.91 6.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.977 2.511 . . . . 0.0 108.368 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 m -127.14 137.34 52.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.18 166.92 16.16 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.039 1.736 . . . . 0.0 107.652 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' H ' ' HE3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 145.19 26.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 174.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.1 -31.88 70.46 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 168.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -60.3 -20.59 59.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.528 2.331 . . . . 0.0 114.534 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -126.73 17.31 7.44 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.537 1.062 . . . . 0.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -108.78 150.47 11.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.634 1.574 . . . . 0.0 107.645 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -137.94 118.66 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.49 154.88 41.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.521 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.36 130.98 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.9 37.89 8.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.122 1.769 . . . . 0.0 113.254 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.44 171.81 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.354 0.662 . . . . 0.0 110.605 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.91 155.95 39.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.409 0.624 . . . . 0.0 110.587 176.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -57.4 -39.53 76.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.403 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.87 -43.4 68.48 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.952 0.796 . . . . 0.0 110.047 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.6 m -56.32 -47.55 78.52 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.56 0.744 . . . . 0.0 109.774 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.22 -35.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.544 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.38 -39.01 85.61 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.219 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.26 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.316 0.962 . . . . 0.0 110.57 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -65.84 -50.3 71.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.847 . . . . 0.0 109.056 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.9 90.44 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.703 0.401 . . . . 0.0 110.679 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.41 -39.06 93.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.442 0.697 . . . . 0.0 111.652 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.61 -41.84 98.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 122.208 -0.307 . . . . 0.0 110.356 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.64 -35.95 81.4 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.56 0.618 . . . . 0.0 111.132 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -61.07 -47.12 87.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 119.057 0.844 . . . . 0.0 109.905 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -64.06 -38.44 91.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.877 0.871 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.91 -44.7 78.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.388 0.675 . . . . 0.0 110.045 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.55 -27.09 55.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.804 0.842 . . . . 0.0 112.681 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.47 -26.55 66.88 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.739 1.216 . . . . 0.0 112.467 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.21 32.48 2.78 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 123.732 0.682 . . . . 0.0 111.399 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.94 170.65 0.6 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.949 1.699 . . . . 0.0 114.441 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.58 -10.11 2.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.786 1.234 . . . . 0.0 112.553 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.28 1.832 . . . . 0.0 107.714 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.08 -26.27 48.82 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 53.36 29.55 8.9 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.83 1.252 . . . . 0.0 112.138 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 -19.09 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 125.882 1.673 . . . . 0.0 112.186 -170.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -59.67 155.23 16.13 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.841 0.746 . . . . 0.0 111.269 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.89 -48.78 78.94 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.484 0.714 . . . . 0.0 110.294 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -170.47 174.86 4.97 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.839 2.056 . . . . 0.0 106.337 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.5 -11.42 1.96 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.337 1.455 . . . . 0.0 113.49 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -54.02 -42.71 69.41 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.842 1.201 . . . . 0.0 110.888 169.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -59.96 -43.97 94.71 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 123.224 0.61 . . . . 0.0 109.614 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -64.74 -39.15 93.15 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.081 0.4 . . . . 0.0 110.874 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -63.41 -43.66 96.87 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.49 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -63.27 -44.34 95.37 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.204 0.911 . . . . 0.0 110.766 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -55.75 -53.46 37.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.62 92.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.878 0.471 . . . . 0.0 111.341 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -85.62 -21.44 28.45 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -130.95 -6.83 3.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.0 -43.8 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 119.906 1.23 . . . . 0.0 110.304 -176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 pt -133.23 24.36 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-N 119.388 0.995 . . . . 0.0 113.468 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.71 -38.4 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -114.59 5.49 15.47 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-O 122.452 1.12 . . . . 0.0 111.008 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.57 124.72 50.03 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.45 1.5 . . . . 0.0 110.931 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -154.06 -20.02 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.737 -1.574 . . . . 0.0 113.465 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -73.75 139.33 45.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -56.18 -36.36 68.28 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.9 -38.08 79.39 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -67.83 -45.37 74.85 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.918 -0.563 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -62.1 -43.53 98.63 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.183 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.65 82.65 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.62 0.646 . . . . 0.0 110.807 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.5 mmt -66.72 -39.7 88.12 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.575 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.88 -47.25 92.16 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.86 -50.5 73.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.647 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.68 -47.41 82.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.798 0.839 . . . . 0.0 111.6 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.75 -45.26 83.25 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.292 0.496 . . . . 0.0 110.435 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.79 -38.04 76.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.035 0.38 . . . . 0.0 110.897 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.03 -51.74 66.79 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 116.645 -1.645 . . . . 0.0 108.878 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.403 12.5 t0 -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.825 -2.75 . . . . 0.0 113.169 -168.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 m -76.06 -44.89 36.95 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 123.743 0.652 . . . . 0.0 109.731 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.95 144.3 53.42 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.299 1.04 . . . . 0.0 109.81 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -125.66 53.77 1.54 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.215 1.406 . . . . 0.0 108.326 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -57.94 162.26 5.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.872 1.269 . . . . 0.0 111.182 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -66.24 152.25 80.92 Favored 'Cis proline' 0 C--N 1.351 0.662 0 CA-C-N 120.379 1.171 . . . . 0.0 112.199 -0.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -150.66 162.18 41.16 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.723 0.409 . . . . 0.0 109.989 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -87.21 142.45 27.89 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.444 -0.785 . . . . 0.0 108.903 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 167.17 30.34 Favored Glycine 0 C--N 1.333 0.39 0 CA-C-N 118.645 0.657 . . . . 0.0 111.759 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -98.31 128.05 44.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 169.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -83.23 105.49 14.24 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 169.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.72 64.04 2.47 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.41 120.08 9.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.507 -170.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -67.55 129.81 41.07 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 169.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -146.41 -170.35 3.48 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.359 1.063 . . . . 0.0 111.074 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 65.12 7.32 4.02 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.419 1.888 . . . . 0.0 113.386 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 53.66 24.0 3.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.845 1.258 . . . . 0.0 111.767 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 p -132.78 17.75 4.24 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.238 1.415 . . . . 0.0 110.037 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m 53.94 27.08 6.89 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.78 1.632 . . . . 0.0 112.547 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 m -72.2 125.12 26.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -72.92 136.1 26.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.1 154.03 42.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -126.03 135.97 52.41 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 110.411 -169.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -135.28 149.26 49.76 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -107.52 122.58 46.93 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -174.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 m -137.65 156.4 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 122.26 1.029 . . . . 0.0 111.428 -168.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -104.3 119.07 38.14 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 169.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.66 136.52 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.2 -25.76 16.95 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.377 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 161.39 175.78 32.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.6 mtp -63.18 148.94 46.6 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 170.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.18 17.19 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.892 0.877 . . . . 0.0 110.85 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.63 151.51 10.48 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.142 2.561 . . . . 0.0 112.545 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -56.16 -27.9 56.0 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.999 0.92 . . . . 0.0 112.823 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.44 -30.74 71.77 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.422 0.689 . . . . 0.0 111.924 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -78.61 -44.04 24.93 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -71.13 10.6 0.54 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.91 -12.24 51.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.557 1.143 . . . . 0.0 112.208 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.94 -35.79 2.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.109 0.868 . . . . 0.0 112.272 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -159.06 166.54 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -83.48 141.17 31.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 120.112 1.324 . . . . 0.0 108.678 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -140.71 158.49 43.9 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.245 1.018 . . . . 0.0 110.224 -175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.22 140.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.784 1.633 . . . . 0.0 107.944 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.99 136.11 36.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.64 150.25 20.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.362 0.665 . . . . 0.0 109.899 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.17 137.47 54.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.51 126.06 28.69 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.848 0.459 . . . . 0.0 110.692 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.68 -23.46 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.57 93.38 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.178 0.894 . . . . 0.0 112.503 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.9 -28.34 0.04 OUTLIER Glycine 0 CA--C 1.527 0.791 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.283 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.79 36.22 0.54 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.277 1.538 . . . . 0.0 111.221 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.94 -22.49 64.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.012 1.325 . . . . 0.0 111.871 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.84 -10.73 30.47 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.362 1.465 . . . . 0.0 113.023 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.17 165.56 25.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.005 1.322 . . . . 0.0 109.812 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.01 151.32 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -138.9 -178.68 5.43 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.663 1.985 . . . . 0.0 108.604 -169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.64 137.4 50.65 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.77 153.88 43.36 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.445 1.498 . . . . 0.0 107.453 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -70.96 136.09 48.27 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.2 -30.53 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 m -66.41 1.16 1.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.336 2.254 . . . . 0.0 113.504 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.59 9.55 4.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.689 1.596 . . . . 0.0 109.974 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -113.85 149.54 16.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 O-C-N 120.69 -1.256 . . . . 0.0 108.457 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.84 119.97 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.01 151.56 44.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 0.0 110.31 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.78 131.21 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 124.84 1.256 . . . . 0.0 107.656 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.37 39.78 9.6 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.186 1.794 . . . . 0.0 113.177 172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.86 173.48 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.565 0.746 . . . . 0.0 110.662 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.5 160.72 18.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.751 0.786 . . . . 0.0 110.826 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.58 -40.56 95.18 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.119 0.968 . . . . 0.0 110.841 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -70.67 -42.87 70.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.423 0.556 . . . . 0.0 109.735 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.3 m -59.85 -44.88 93.88 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.441 0.696 . . . . 0.0 110.084 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.28 -44.25 95.6 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.306 0.503 . . . . 0.0 109.811 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.71 -41.27 97.38 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 118.537 -0.744 . . . . 0.0 111.517 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.11 84.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.863 0.756 . . . . 0.0 110.683 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.08 -49.6 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 109.455 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.72 85.4 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.575 0.625 . . . . 0.0 110.505 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.35 -42.68 99.1 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.719 0.808 . . . . 0.0 111.195 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -65.28 -40.37 93.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.617 0.367 . . . . 0.0 110.476 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.19 -34.99 79.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.09 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.65 -53.1 60.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.527 1.058 . . . . 0.0 109.149 172.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.71 -42.57 84.03 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.022 0.929 . . . . 0.0 111.192 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.61 -52.65 64.61 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.112 1.365 . . . . 0.0 110.615 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.67 -22.6 66.58 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.219 0.608 . . . . 0.0 112.064 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -79.96 -3.39 48.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.281 0.633 . . . . 0.0 112.504 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.92 47.74 45.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.287 0.949 . . . . 0.0 111.202 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -55.75 161.89 1.97 Allowed 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.644 1.177 . . . . 0.0 113.004 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -139.03 9.48 2.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.639 0.776 . . . . 0.0 112.393 -170.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.051 1.74 . . . . 0.0 109.703 -169.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.5 58.84 1.39 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.901 1.28 . . . . 0.0 110.836 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -74.69 29.79 0.09 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.887 2.075 . . . . 0.0 112.165 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.9 p -48.34 123.14 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.478 1.911 . . . . 0.0 111.376 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 29.29 -103.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 129.384 3.074 . . . . 0.0 113.975 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtm-85 -65.56 -14.66 61.56 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 t70 37.68 -120.29 0.2 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.452 1.901 . . . . 0.0 112.345 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.13 -24.66 66.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.521 1.51 . . . . 0.0 113.784 -172.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -43.78 97.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.722 0.692 . . . . 0.0 109.813 176.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -77.77 -36.9 50.05 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.605 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.85 -39.65 92.6 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.283 0.947 . . . . 0.0 110.302 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.56 -44.26 94.65 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.987 0.515 . . . . 0.0 110.778 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -60.75 -48.87 79.85 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.772 -0.58 . . . . 0.0 110.608 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mt -53.01 -50.75 43.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 124.38 1.072 . . . . 0.0 109.02 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.12 -42.37 94.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.147 0.579 . . . . 0.0 111.258 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 p -87.07 -21.55 25.98 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -134.86 -2.97 2.57 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 mt -121.45 -43.55 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.733 1.152 . . . . 0.0 110.271 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.7 pt -131.23 23.5 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 119.129 0.877 . . . . 0.0 112.957 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.68 -36.7 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.53 5.89 16.82 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.875 1.27 . . . . 0.0 111.414 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.49 129.66 56.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 123.655 1.693 . . . . 0.0 110.828 -169.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -159.08 -27.64 0.07 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.408 -171.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.98 138.97 48.39 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.974 -2.973 . . . . 0.0 102.974 169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.44 -32.18 69.98 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.12 -39.37 78.96 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -71.61 -41.14 69.26 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.069 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -63.09 -41.4 99.4 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.584 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.62 85.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 118.449 0.568 . . . . 0.0 110.675 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -66.13 -41.87 89.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 118.701 -0.666 . . . . 0.0 112.32 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.6 76.28 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -59.97 -48.57 81.18 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.818 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.57 -46.96 83.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.741 0.816 . . . . 0.0 111.397 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -66.04 -45.35 81.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.285 0.493 . . . . 0.0 110.472 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -70.11 -39.48 75.48 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.165 0.439 . . . . 0.0 110.856 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.24 -51.16 67.34 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 116.718 -1.61 . . . . 0.0 109.029 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.04 -49.97 65.22 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 119.675 1.125 . . . . 0.0 108.112 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.45 -31.01 72.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 114.95 -2.7 . . . . 0.0 113.125 -168.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 m -78.91 -40.38 32.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.789 0.681 . . . . 0.0 109.983 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.35 148.38 50.49 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.506 1.122 . . . . 0.0 109.842 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -127.18 53.6 1.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -60.31 162.24 11.32 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.612 1.165 . . . . 0.0 111.638 171.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.26 150.41 76.04 Favored 'Cis proline' 0 C--N 1.351 0.706 0 CA-C-N 120.347 1.16 . . . . 0.0 111.951 -2.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.03 165.83 32.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.974 0.51 . . . . 0.0 109.968 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.2 ttt -87.77 143.67 27.03 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.45 -0.781 . . . . 0.0 109.171 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.99 171.26 31.36 Favored Glycine 0 C--N 1.333 0.363 0 O-C-N 121.335 -0.853 . . . . 0.0 111.479 171.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.75 122.23 42.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.24 109.43 15.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.209 -2.886 . . . . 0.0 103.209 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -87.98 64.72 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -61.53 137.12 58.23 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -169.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.8 136.7 56.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.16 0.891 . . . . 0.0 108.645 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -64.03 159.11 20.85 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.023 0.916 . . . . 0.0 112.049 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -66.94 115.29 6.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 109.512 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 tttt 54.53 27.15 8.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.55 1.54 . . . . 0.0 113.173 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -141.97 -172.64 3.61 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.598 1.559 . . . . 0.0 107.695 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -124.91 5.15 8.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.656 0.782 . . . . 0.0 112.571 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 p -72.75 -179.8 3.28 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.971 1.308 . . . . 0.0 109.93 169.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.8 141.42 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.99 100.61 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 171.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.98 136.65 54.25 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -135.61 127.78 29.95 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.0 m -82.76 125.89 31.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.59 154.63 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 122.172 0.987 . . . . 0.0 110.613 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.39 118.76 37.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 169.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.98 132.89 30.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.6 -25.78 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.76 0.424 . . . . 0.0 110.15 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 156.65 176.45 28.74 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtp -62.0 146.93 48.69 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.12 159.8 26.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.213 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.5 156.84 3.8 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.204 2.603 . . . . 0.0 112.878 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.44 -27.4 56.62 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.779 0.831 . . . . 0.0 112.083 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.49 -28.26 68.22 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.188 0.995 . . . . 0.0 112.291 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.56 -36.39 8.38 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.075 0.95 . . . . 0.0 109.646 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.38 0.22 5.41 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.12 -19.68 50.51 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.44 1.496 . . . . 0.0 110.586 169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.26 -43.73 4.93 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.726 0.81 . . . . 0.0 109.509 -172.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -164.4 164.9 21.99 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.043 0.937 . . . . 0.0 108.662 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 114.27 13.88 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.22 158.15 37.89 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.499 1.12 . . . . 0.0 109.925 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -140.28 139.18 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.906 1.682 . . . . 0.0 107.495 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -82.94 135.81 34.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.23 147.08 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.16 139.91 52.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.56 124.23 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.007 0.523 . . . . 0.0 110.953 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.7 mt -81.03 -23.06 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.05 90.79 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.103 0.859 . . . . 0.0 112.519 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.78 -26.72 0.05 OUTLIER Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.488 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -83.03 36.53 0.51 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.436 1.618 . . . . 0.0 111.178 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.14 -21.99 64.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.153 1.381 . . . . 0.0 112.046 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.49 -11.79 26.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.416 1.487 . . . . 0.0 113.113 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -136.88 165.59 25.61 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.7 1.2 . . . . 0.0 110.174 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.4 p -134.83 156.93 40.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 109.144 -172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -140.35 179.01 6.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.756 2.023 . . . . 0.0 107.906 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.2 m -129.36 139.75 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 172.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 155.66 45.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.427 1.491 . . . . 0.0 107.495 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.09 143.16 45.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.78 -30.88 66.02 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 169.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -16.69 32.78 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.908 2.083 . . . . 0.0 113.672 174.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 5.92 17.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.111 1.364 . . . . 0.0 110.374 -172.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.06 147.65 20.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 125.231 1.412 . . . . 0.0 108.309 -170.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -133.5 113.41 12.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.869 -1.901 . . . . 0.0 105.869 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.75 156.36 39.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.588 0.709 . . . . 0.0 110.842 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.7 mt -123.85 131.2 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 51.13 36.49 15.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.78 1.632 . . . . 0.0 113.955 173.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.95 173.01 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 O-C-N 121.461 -0.774 . . . . 0.0 110.457 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -82.31 168.96 17.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.094 0.95 . . . . 0.0 109.7 170.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.23 -36.97 78.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.58 1.552 . . . . 0.0 112.149 -172.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -60.6 -50.64 72.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.093 0.557 . . . . 0.0 111.225 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.0 m -65.23 -43.48 91.3 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.574 1.15 . . . . 0.0 108.376 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -65.16 -34.77 79.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.627 -0.701 . . . . 0.0 111.83 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.05 -38.7 75.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.451 1.023 . . . . 0.0 111.492 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.09 85.42 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.635 0.652 . . . . 0.0 110.201 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.6 -53.11 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.949 0.9 . . . . 0.0 109.143 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.75 93.31 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.001 0.52 . . . . 0.0 110.721 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 7.3 t70 -69.88 -32.63 71.07 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.85 -0.531 . . . . 0.0 111.62 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -62.62 -40.66 97.67 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -34.07 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.839 0.745 . . . . 0.0 110.892 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 11.5 m-30 -64.4 -44.73 90.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.476 1.035 . . . . 0.0 109.869 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.03 -39.93 93.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.676 -0.64 . . . . 0.0 110.717 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.92 -48.97 78.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.705 0.802 . . . . 0.0 109.432 176.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.3 -28.0 69.42 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.482 1.113 . . . . 0.0 112.627 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -77.65 -3.93 43.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.11 48.53 31.74 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 119.2 0.909 . . . . 0.0 110.999 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -51.02 164.26 0.16 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.832 1.653 . . . . 0.0 113.09 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -129.58 -16.0 3.91 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.8 p90 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 120.724 1.602 . . . . 0.0 109.546 175.514 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -11.33 59.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.225 1.01 . . . . 0.0 112.283 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m 61.57 29.75 18.4 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.327 1.451 . . . . 0.0 111.271 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.43 -9.22 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 123.981 0.912 . . . . 0.0 111.272 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -60.0 136.39 58.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.145 1.378 . . . . 0.0 108.701 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -60.39 -33.64 72.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.891 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t0 141.4 48.64 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 131.501 3.92 . . . . 0.0 106.078 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 59.94 4.48 0.61 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.808 2.043 . . . . 0.0 113.603 -169.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -48.21 72.88 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 120.835 -1.166 . . . . 0.0 110.596 -175.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.05 -33.41 61.72 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -59.82 -47.36 86.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.439 1.496 . . . . 0.0 109.475 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -62.15 -42.32 99.14 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.727 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -63.73 -41.88 97.99 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.063 . . . . 0.0 111.034 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.28 -53.13 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.33 -44.25 95.68 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.792 0.437 . . . . 0.0 111.629 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 p -87.77 -20.91 25.5 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.45 -5.75 3.33 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -121.14 -43.2 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 119.819 1.19 . . . . 0.0 110.082 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.64 22.22 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 119.386 0.994 . . . . 0.0 113.348 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.05 -38.11 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -172.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -112.94 7.77 18.33 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-O 122.743 1.259 . . . . 0.0 111.267 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.78 135.91 53.44 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.207 1.803 . . . . 0.0 110.801 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.61 -32.81 0.05 Allowed 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 127.119 2.168 . . . . 0.0 110.064 -172.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.95 146.24 53.78 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 173.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -53.75 -42.7 68.48 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.427 0.558 . . . . 0.0 110.64 -175.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.72 -39.18 73.54 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -72.06 -41.6 67.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.625 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -65.03 -41.75 94.98 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.268 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.46 85.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.738 0.699 . . . . 0.0 110.68 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.28 -39.01 92.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.883 -0.58 . . . . 0.0 112.145 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.84 -49.55 76.75 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.59 -50.9 72.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.681 173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.02 -48.53 79.78 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.073 0.949 . . . . 0.0 111.845 -174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.02 -47.12 81.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.038 0.535 . . . . 0.0 110.04 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -69.62 -39.19 77.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.719 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.19 -50.7 64.91 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.21 -1.852 . . . . 0.0 109.437 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.12 -47.9 74.39 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.575 1.534 . . . . 0.0 108.735 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.389 13.6 t0 -64.54 -31.38 72.58 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 114.815 -2.754 . . . . 0.0 112.93 -168.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -75.95 -40.54 53.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.466 0.707 . . . . 0.0 109.987 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.45 138.09 56.36 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.474 1.109 . . . . 0.0 108.419 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -119.0 67.4 0.78 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.573 1.178 . . . . 0.0 108.075 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -55.2 159.08 4.48 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.688 1.595 . . . . 0.0 111.981 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.81 153.67 95.73 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 N-CA-C 110.108 -0.766 . . . . 0.0 110.108 -10.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -145.22 165.71 27.57 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.9 ttt -101.1 145.0 29.32 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.6 171.11 31.77 Favored Glycine 0 C--N 1.333 0.4 0 O-C-N 121.541 -0.724 . . . . 0.0 112.14 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -97.05 128.44 44.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -84.93 101.65 12.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -83.68 72.61 10.32 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -59.01 131.82 52.2 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -73.87 64.11 0.95 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.357 0.981 . . . . 0.0 111.119 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 t 51.53 -162.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.374 1.87 . . . . 0.0 112.109 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -127.18 -22.25 3.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.265 1.826 . . . . 0.0 110.75 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -136.74 -0.52 2.34 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.78 0.832 . . . . 0.0 112.765 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.0 p -145.66 173.02 12.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.471 1.108 . . . . 0.0 109.564 -169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m -84.28 0.72 47.93 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.963 0.905 . . . . 0.0 112.719 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 p -72.86 179.77 3.53 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.219 1.408 . . . . 0.0 111.129 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.4 144.78 20.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -128.47 153.66 46.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 104.519 -2.4 . . . . 0.0 104.519 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -126.32 136.33 52.61 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.479 -0.763 . . . . 0.0 110.264 -169.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -133.56 148.49 51.63 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -100.29 127.27 46.62 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.11 155.2 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.604 1.192 . . . . 0.0 111.474 -169.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -100.12 134.26 43.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.965 -2.606 . . . . 0.0 103.965 168.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.49 113.09 43.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.52 -31.84 26.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.046 0.538 . . . . 0.0 112.301 -169.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.42 171.56 34.4 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.2 mmm -65.14 153.68 40.17 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.41 167.51 6.7 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.009 0.523 . . . . 0.0 109.854 169.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.78 155.2 8.37 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.758 2.306 . . . . 0.0 112.698 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.41 -28.88 63.66 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.402 0.681 . . . . 0.0 111.753 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.54 -31.46 72.63 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.48 0.712 . . . . 0.0 111.914 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -83.25 -44.12 15.33 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.4 m -72.16 2.52 5.74 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.72 -17.45 53.53 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.198 1.399 . . . . 0.0 110.967 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.44 -41.83 4.26 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.228 0.611 . . . . 0.0 110.329 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -164.42 163.86 22.18 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.687 1.195 . . . . 0.0 107.847 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.51 129.03 34.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 119.957 1.253 . . . . 0.0 109.22 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -138.63 158.45 44.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.13 142.22 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.385 1.474 . . . . 0.0 108.305 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -78.27 137.49 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 171.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -140.8 148.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 123.775 0.83 . . . . 0.0 109.664 -173.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.97 131.63 53.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.72 125.64 27.33 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.687 0.795 . . . . 0.0 109.162 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.5 mt -91.46 -30.53 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 109.046 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.26 -23.49 77.88 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.169 0.89 . . . . 0.0 112.405 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.7 170.81 37.51 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt 61.12 -62.21 0.08 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.873 2.469 . . . . 0.0 112.668 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 50.91 26.23 2.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.884 2.074 . . . . 0.0 113.355 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -152.99 13.37 0.51 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -149.6 161.92 41.22 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.683 1.193 . . . . 0.0 109.457 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -135.05 151.77 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 124.949 1.3 . . . . 0.0 109.802 -169.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -141.11 -176.27 4.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.502 2.321 . . . . 0.0 108.074 -175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 m -129.48 140.55 51.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.92 150.98 50.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.482 1.513 . . . . 0.0 107.907 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -72.86 138.46 46.3 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 tp -56.73 -28.43 61.01 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.153 0.581 . . . . 0.0 110.252 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -61.01 -18.26 56.73 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.658 1.583 . . . . 0.0 113.539 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -114.64 11.32 16.91 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.001 1.32 . . . . 0.0 109.425 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -111.67 146.37 16.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.58 -1.325 . . . . 0.0 108.734 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -137.58 121.88 18.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 155.68 38.49 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.64 0.654 . . . . 0.0 110.46 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.5 mt -119.92 131.03 73.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.4 39.54 12.84 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.219 1.808 . . . . 0.0 113.447 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.23 170.77 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.302 0.641 . . . . 0.0 111.326 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -78.38 164.37 24.86 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.681 0.753 . . . . 0.0 110.642 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.36 -42.83 87.82 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.286 1.434 . . . . 0.0 112.228 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.8 -45.17 79.19 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.226 0.466 . . . . 0.0 110.319 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.8 m -64.1 -41.94 97.08 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.48 -44.82 95.46 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.06 -44.1 94.97 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.947 0.899 . . . . 0.0 112.035 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.0 93.06 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 117.62 0.191 . . . . 0.0 110.686 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.46 -48.45 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.187 0.595 . . . . 0.0 109.63 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.6 -50.15 70.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.759 . . . . 0.0 110.414 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.86 -31.72 73.09 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -71.39 -39.9 70.89 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.479 -0.763 . . . . 0.0 110.841 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.31 -32.94 74.74 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 110.137 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -71.66 -30.96 66.3 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 121.184 -0.947 . . . . 0.0 110.936 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.97 -40.99 87.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.357 1.89 . . . . 0.0 110.099 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.99 -48.25 80.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 172.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.16 -31.33 70.82 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -71.69 -3.06 19.67 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.538 1.135 . . . . 0.0 111.358 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.14 25.85 61.02 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.595 170.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 57.57 169.15 0.04 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 127.602 2.361 . . . . 0.0 113.173 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -138.97 -11.67 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.456 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.712 -1.137 . . . . 0.0 110.147 177.035 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.498 0.189 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.72 99.17 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 122.81 0.444 . . . . 0.0 110.844 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m 49.88 31.15 4.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.334 1.454 . . . . 0.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -87.24 -23.81 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.698 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.38 126.61 25.8 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.069 1.748 . . . . 0.0 108.899 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.52 -37.53 81.48 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 117.904 0.32 . . . . 0.0 110.931 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -168.92 157.33 7.99 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.39 2.276 . . . . 0.0 106.394 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.42 -18.37 27.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.03 0.932 . . . . 0.0 112.677 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.5 m -49.56 -37.51 27.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.248 1.019 . . . . 0.0 111.767 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -72.67 -39.49 67.07 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 120.01 1.277 . . . . 0.0 111.039 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -61.47 -41.0 96.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.908 1.231 . . . . 0.0 109.969 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.18 -53.9 53.06 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.098 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.22 -30.03 68.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.456 1.026 . . . . 0.0 111.683 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.41 -54.31 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 169.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -62.17 -45.88 91.44 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.044 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.0 p -94.97 -11.83 27.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.902 1.228 . . . . 0.0 113.603 -169.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.6 -17.06 4.66 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.689 -169.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -121.72 -44.16 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 119.523 1.056 . . . . 0.0 110.748 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.02 21.78 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -169.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -50.39 -37.91 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -170.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -113.33 3.39 15.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.232 1.013 . . . . 0.0 111.076 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 121.95 46.22 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.23 1.412 . . . . 0.0 111.287 -169.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -153.64 -18.86 0.14 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.679 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -71.29 139.15 49.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.968 -2.975 . . . . 0.0 102.968 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -38.4 59.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -168.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.55 -41.8 83.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -66.54 -46.87 74.69 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -66.33 -38.81 88.52 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.75 88.83 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.668 0.387 . . . . 0.0 110.801 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.3 mmt -65.36 -38.27 89.56 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.889 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -48.5 84.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -59.51 -49.58 77.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.168 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -57.65 -48.85 78.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.224 0.61 . . . . 0.0 111.414 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.32 -44.78 86.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.927 0.331 . . . . 0.0 110.43 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -70.34 -38.43 74.85 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.215 -0.303 . . . . 0.0 110.933 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.19 -48.59 72.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.384 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -52.95 -49.63 65.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.223 1.374 . . . . 0.0 107.862 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.9 t0 -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 114.89 -2.724 . . . . 0.0 113.029 -168.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -76.21 -43.77 40.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.796 0.685 . . . . 0.0 109.679 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.06 147.18 51.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.322 1.049 . . . . 0.0 109.879 174.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.1 52.1 1.91 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.373 1.469 . . . . 0.0 107.956 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.5 p90 -58.04 159.1 11.44 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.802 1.241 . . . . 0.0 111.623 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.44 154.21 89.3 Favored 'Cis proline' 0 C--N 1.351 0.695 0 CA-C-N 120.12 1.079 . . . . 0.0 112.951 1.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.0 160.27 44.04 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.245 1.018 . . . . 0.0 109.852 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.0 ttt -86.14 143.28 28.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.92 164.81 29.64 Favored Glycine 0 C--N 1.333 0.397 0 O-C-N 121.118 -0.989 . . . . 0.0 111.941 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.89 122.32 34.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -82.25 100.3 9.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 169.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -84.15 64.94 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.943 1.697 . . . . 0.0 106.576 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -61.78 133.31 55.35 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -171.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 137.05 45.38 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.737 1.153 . . . . 0.0 108.537 169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.2 m -54.17 155.53 3.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.702 0.801 . . . . 0.0 111.798 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -56.19 -36.76 68.75 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.849 0.86 . . . . 0.0 111.293 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.89 158.67 43.79 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.22 1.808 . . . . 0.0 106.149 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m 66.37 162.02 0.16 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.074 1.35 . . . . 0.0 110.596 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -96.58 21.73 8.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.505 1.122 . . . . 0.0 112.133 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -70.26 176.67 3.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.433 1.093 . . . . 0.0 109.434 169.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -114.2 143.4 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -117.16 102.23 9.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.59 139.84 55.55 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -137.46 155.72 48.99 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 m -112.54 121.58 45.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 m -135.83 162.65 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.981 0.896 . . . . 0.0 111.617 -169.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -111.2 113.47 25.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.22 115.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.68 -35.76 57.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 167.68 -178.95 41.36 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.4 mtp -63.67 151.4 41.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.098 0.475 . . . . 0.0 109.858 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 167.1 7.16 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 123.97 0.908 . . . . 0.0 110.78 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.77 155.62 7.8 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.017 2.478 . . . . 0.0 112.794 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -57.69 -30.18 65.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.202 0.601 . . . . 0.0 112.395 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.19 -37.31 84.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.83 0.741 . . . . 0.0 111.01 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -76.46 -41.21 48.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -71.58 2.19 5.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 mt -85.52 -15.62 42.17 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.125 1.37 . . . . 0.0 110.664 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -105.61 -43.9 4.81 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.622 1.169 . . . . 0.0 109.32 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -166.11 172.68 11.05 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.163 1.785 . . . . 0.0 106.832 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.2 mmt -80.49 127.65 32.68 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 120.431 1.469 . . . . 0.0 108.929 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -136.59 162.35 33.38 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.078 0.951 . . . . 0.0 109.917 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.36 144.42 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.606 1.562 . . . . 0.0 108.002 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.72 133.72 35.15 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 169.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 m -137.9 140.19 41.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.38 125.05 50.26 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -84.43 87.98 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.63 -42.65 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.456 1.102 . . . . 0.0 109.054 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.84 -40.7 95.67 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.85 -49.15 5.49 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 119.087 -0.84 . . . . 0.0 112.913 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -145.42 -34.38 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.424 1.112 . . . . 0.0 113.511 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t0 52.69 26.52 4.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.557 1.543 . . . . 0.0 112.293 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -149.72 9.09 0.69 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.601 1.16 . . . . 0.0 112.309 -169.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -149.4 160.67 43.23 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.044 -1.035 . . . . 0.0 108.793 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.07 147.47 32.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 124.646 1.178 . . . . 0.0 108.426 -169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -137.76 179.18 6.57 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.463 2.305 . . . . 0.0 107.789 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -125.61 140.16 52.97 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.06 154.15 50.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.088 1.355 . . . . 0.0 108.1 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -70.28 139.0 52.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.3 -28.64 68.27 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -60.37 -17.2 42.03 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.003 1.721 . . . . 0.0 113.388 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.17 13.37 17.99 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.446 1.098 . . . . 0.0 109.235 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -118.43 148.07 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 120.485 -1.384 . . . . 0.0 109.481 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -138.47 138.46 38.12 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 169.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.47 158.92 20.87 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.456 0.645 . . . . 0.0 111.742 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.2 mt -131.23 136.03 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.551 1.54 . . . . 0.0 107.218 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t0 47.43 47.74 16.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.76 1.624 . . . . 0.0 113.054 171.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 106' ' ' ASP . 3.1 p -118.0 174.0 4.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 123.808 0.843 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 105' ' ' VAL . 39.3 t0 -77.6 163.82 25.9 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 122.058 0.932 . . . . 0.0 110.382 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.97 -44.77 94.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.743 1.217 . . . . 0.0 111.426 -169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.53 -40.21 95.2 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 122.581 0.353 . . . . 0.0 110.681 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 105' ' ' VAL . 85.0 m -65.7 -43.79 88.08 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.54 97.79 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.557 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -64.43 -41.72 96.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.661 0.784 . . . . 0.0 110.973 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.29 89.07 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.674 0.67 . . . . 0.0 110.676 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.4 -50.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.261 0.625 . . . . 0.0 109.478 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.29 -40.69 78.31 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.955 0.502 . . . . 0.0 110.784 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.51 -37.95 88.28 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 122.647 0.379 . . . . 0.0 111.678 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -66.18 -37.2 85.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.034 -0.416 . . . . 0.0 110.654 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.07 -29.04 69.3 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.379 -0.826 . . . . 0.0 111.102 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.28 -52.75 60.74 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.775 1.171 . . . . 0.0 108.689 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.88 -39.62 71.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.855 0.862 . . . . 0.0 111.683 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.12 -56.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.152 0.981 . . . . 0.0 110.314 176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.57 64.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.94 -23.34 66.59 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.146 1.378 . . . . 0.0 110.867 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.21 28.07 11.26 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.445 -1.197 . . . . 0.0 112.129 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 59.09 168.98 0.06 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.825 2.45 . . . . 0.0 114.006 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -140.34 8.16 2.21 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.959 0.904 . . . . 0.0 112.301 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.468 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.64 158.99 44.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.508 1.523 . . . . 0.0 109.124 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 34.42 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.58 1.152 . . . . 0.0 110.371 -170.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.75 24.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 122.058 0.932 . . . . 0.0 110.474 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.54 152.45 40.58 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.691 1.997 . . . . 0.0 107.578 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -68.83 -53.31 22.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.775 0.43 . . . . 0.0 111.395 -170.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -156.57 44.95 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.48 0.657 . . . . 0.0 110.8 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.7 16.63 2.72 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 112.33 -170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -57.62 -45.34 85.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.903 2.081 . . . . 0.0 110.265 171.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -61.32 -47.22 86.91 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.759 -0.639 . . . . 0.0 109.562 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.82 -43.54 98.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 118.733 0.697 . . . . 0.0 111.113 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -57.92 -47.55 82.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.556 0.342 . . . . 0.0 110.463 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.07 -39.88 78.82 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.613 -0.679 . . . . 0.0 111.726 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.3 mt -56.43 -52.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -47.32 84.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.101 0.56 . . . . 0.0 110.821 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.1 p -84.84 -12.68 53.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.05 -15.58 2.58 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -169.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.73 -43.08 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 110.812 -170.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 pt -133.09 24.72 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -48.81 -38.7 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -116.04 6.3 14.04 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.896 1.278 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.3 121.25 44.75 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.848 1.259 . . . . 0.0 111.47 -169.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -153.45 -20.12 0.14 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 113.635 -1.621 . . . . 0.0 113.483 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -71.88 139.15 48.68 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 102.4 -3.185 . . . . 0.0 102.4 168.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -52.96 -40.82 63.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.56 -37.47 85.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.155 0.91 . . . . 0.0 108.969 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.05 -47.23 59.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.858 -0.526 . . . . 0.0 109.616 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -65.5 -38.8 90.77 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.942 -0.551 . . . . 0.0 109.611 -171.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.01 76.0 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.788 0.435 . . . . 0.0 110.974 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -33.59 75.59 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -51.72 57.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -57.9 -46.81 84.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.712 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -53.73 -59.96 3.93 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.528 0.731 . . . . 0.0 111.731 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -42.47 85.41 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 -169.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.74 -40.53 88.37 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.024 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -65.48 -48.71 71.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.434 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.94 -47.35 74.58 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 120.608 1.549 . . . . 0.0 108.887 174.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.386 13.9 t0 -64.75 -31.43 72.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 C-N-CA 115.089 -2.645 . . . . 0.0 112.666 -168.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -74.95 -43.38 54.42 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 123.793 0.683 . . . . 0.0 109.942 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.5 145.07 56.05 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.627 1.171 . . . . 0.0 108.847 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -122.29 66.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -55.95 156.27 10.3 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.553 174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.47 150.66 92.31 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 N-CA-C 109.636 -0.948 . . . . 0.0 109.636 -10.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -143.62 161.74 37.73 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -93.59 143.44 26.3 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.474 -0.766 . . . . 0.0 109.31 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.9 172.17 31.94 Favored Glycine 0 C--N 1.333 0.413 0 O-C-N 121.531 -0.731 . . . . 0.0 112.282 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.53 125.5 43.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.58 101.34 9.92 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 169.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -87.89 65.68 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.531 1.932 . . . . 0.0 106.422 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.09 129.27 40.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.89 126.78 28.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -56.25 154.46 8.01 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.689 0.795 . . . . 0.0 113.053 -170.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -58.4 -26.69 63.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.289 1.035 . . . . 0.0 112.413 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -145.57 151.37 38.01 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m 68.69 143.93 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.519 1.928 . . . . 0.0 111.076 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.2 m -76.18 68.81 2.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.619 1.168 . . . . 0.0 109.954 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -133.81 -169.76 2.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.605 1.562 . . . . 0.0 107.847 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.2 mm -127.66 141.55 46.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.216 1.007 . . . . 0.0 109.694 -169.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -115.35 151.34 34.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.02 131.35 49.18 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.31 -0.869 . . . . 0.0 109.769 -171.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -131.57 139.95 49.34 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 172.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 m -88.78 126.23 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.76 154.79 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 122.51 1.147 . . . . 0.0 111.716 -169.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.71 119.72 39.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 103.598 -2.741 . . . . 0.0 103.598 168.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.74 110.0 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.75 -33.94 46.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.726 0.81 . . . . 0.0 112.152 -169.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.1 177.33 39.77 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.31 151.19 47.59 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 167.97 27.41 Favored Pre-proline 0 CA--C 1.544 0.734 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.41 148.72 14.22 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.556 2.171 . . . . 0.0 112.481 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -61.37 -25.25 67.05 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.089 0.556 . . . . 0.0 111.351 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.63 -26.68 68.75 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.315 1.046 . . . . 0.0 111.621 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.34 -43.46 8.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.42 0.688 . . . . 0.0 109.921 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.4 m -77.19 7.77 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -170.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.89 -18.71 64.88 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.766 1.627 . . . . 0.0 110.952 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -110.02 -33.51 6.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 124.827 1.251 . . . . 0.0 111.026 -169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -166.46 166.35 16.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.116 1.367 . . . . 0.0 107.382 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -80.7 128.95 34.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 121.191 1.814 . . . . 0.0 109.128 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -135.47 158.21 44.94 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.21 1.004 . . . . 0.0 109.822 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.88 144.49 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.072 1.349 . . . . 0.0 108.137 -175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -77.54 138.19 39.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 171.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.97 143.66 29.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.629 0.772 . . . . 0.0 109.735 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.93 130.95 55.05 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -73.8 109.28 7.18 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.861 0.465 . . . . 0.0 110.482 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.46 -26.46 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.19 -41.06 94.59 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.236 0.922 . . . . 0.0 113.246 -173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -158.37 15.93 0.28 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-O 118.035 -1.425 . . . . 0.0 115.392 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.92 -67.28 0.64 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.913 1.857 . . . . 0.0 110.35 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t70 49.85 22.37 0.84 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.583 1.953 . . . . 0.0 113.735 -176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -152.35 10.72 0.51 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.15 1.38 . . . . 0.0 111.477 -172.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.94 156.83 41.99 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.509 1.924 . . . . 0.0 106.588 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.55 151.97 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.398 0.679 . . . . 0.0 110.043 -168.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -129.95 -173.21 2.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 128.248 2.619 . . . . 0.0 108.569 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -126.75 142.18 51.62 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.15 155.93 48.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.806 1.643 . . . . 0.0 108.412 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -71.53 139.58 49.56 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.97 -29.62 68.55 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 m -61.82 -15.77 44.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.944 1.698 . . . . 0.0 113.509 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.36 13.9 16.67 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.681 1.192 . . . . 0.0 108.816 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mm -118.31 147.4 21.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 O-C-N 120.46 -1.4 . . . . 0.0 108.959 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -138.98 136.13 35.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.49 159.36 29.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.798 0.808 . . . . 0.0 111.168 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -124.64 131.48 72.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 t70 48.29 41.36 16.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.146 1.778 . . . . 0.0 113.411 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.0 172.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.445 0.698 . . . . 0.0 111.411 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.09 162.82 23.83 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.825 0.821 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.88 -39.58 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.848 0.859 . . . . 0.0 110.927 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.2 -48.16 58.37 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.433 0.56 . . . . 0.0 109.813 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.5 m -57.44 -47.09 82.72 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.675 0.79 . . . . 0.0 109.794 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.51 -37.42 87.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.283 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -64.82 -43.41 93.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 118.463 -0.78 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.72 80.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.055 0.843 . . . . 0.0 110.824 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.95 -53.81 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.9 -42.88 80.71 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 111.05 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.71 -43.26 98.03 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.272 1.029 . . . . 0.0 110.957 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -65.75 -37.87 87.55 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.438 0.295 . . . . 0.0 111.07 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.64 -31.54 71.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.271 -0.893 . . . . 0.0 111.242 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -65.28 -48.47 73.07 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.454 1.024 . . . . 0.0 109.471 171.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -56.26 -41.54 75.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.23 1.012 . . . . 0.0 111.459 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.9 tp -60.1 -52.27 66.07 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.55 1.14 . . . . 0.0 110.143 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.23 74.54 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.891 0.476 . . . . 0.0 111.677 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -73.95 -18.22 60.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.253 1.021 . . . . 0.0 112.578 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.01 32.62 9.65 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-O 118.387 -1.229 . . . . 0.0 113.347 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 61.19 170.75 0.1 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.652 2.381 . . . . 0.0 115.773 169.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -139.72 15.47 2.51 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.427 1.491 . . . . 0.0 111.963 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 C-N-CA 124.769 1.227 . . . . 0.0 107.851 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 155.8 41.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.291 1.436 . . . . 0.0 108.129 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -133.53 19.48 3.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.084 0.953 . . . . 0.0 111.794 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 m -71.0 -15.89 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.958 1.703 . . . . 0.0 112.97 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.5 81.27 0.16 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.847 1.259 . . . . 0.0 109.692 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -29.34 66.56 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -169.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -160.71 154.26 22.16 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.03 1.332 . . . . 0.0 107.858 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.37 -18.4 17.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.641 1.176 . . . . 0.0 112.709 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -44.85 -48.95 11.1 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.175 1.39 . . . . 0.0 111.146 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -72.55 -38.4 67.99 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.307 -175.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -59.4 -44.07 92.88 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.062 0.846 . . . . 0.0 110.4 175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.01 -49.7 73.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.607 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -60.33 -44.18 95.74 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -51.67 -58.19 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -63.79 -40.5 96.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 117.913 -1.041 . . . . 0.0 112.962 -171.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -108.38 -9.17 15.47 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 120.158 1.344 . . . . 0.0 113.814 -169.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -132.83 -11.16 3.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.731 0.812 . . . . 0.0 111.975 -169.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mt -120.18 -50.06 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.524 1.056 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -124.68 15.74 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 119.396 0.998 . . . . 0.0 113.492 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -48.45 -37.45 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -109.92 5.44 22.41 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 122.106 0.955 . . . . 0.0 111.381 -175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.5 141.61 43.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.519 1.528 . . . . 0.0 110.203 -169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -159.33 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.211 1.804 . . . . 0.0 112.429 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 143.61 49.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 171.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -60.96 -32.37 71.92 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.032 0.833 . . . . 0.0 112.41 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.21 -40.91 74.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.32 -36.74 68.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.421 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -60.72 -47.72 85.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.951 0.796 . . . . 0.0 109.782 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.37 85.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.743 0.417 . . . . 0.0 110.613 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.01 -38.34 90.63 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.352 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.21 80.95 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -59.26 -48.84 80.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.864 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -58.28 -46.84 85.33 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.691 0.796 . . . . 0.0 111.784 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -65.52 -46.77 78.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.805 0.442 . . . . 0.0 110.331 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -68.12 -39.63 82.71 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.799 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.48 -52.09 62.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.158 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -53.14 -50.72 63.96 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 119.933 1.242 . . . . 0.0 108.523 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.4 12.5 t0 -64.4 -30.38 71.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 114.893 -2.723 . . . . 0.0 113.53 -168.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.0 m -80.74 -41.12 24.08 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.09 140.88 56.58 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.681 0.792 . . . . 0.0 109.289 169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -124.36 54.94 1.33 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.991 1.316 . . . . 0.0 107.983 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 10.5 p90 -58.65 161.32 8.46 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.287 1.435 . . . . 0.0 111.846 174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.17 152.75 87.93 Favored 'Cis proline' 0 C--N 1.352 0.72 0 CA-C-N 120.005 1.037 . . . . 0.0 112.649 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -150.48 165.26 33.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -95.89 142.65 27.89 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.475 -0.765 . . . . 0.0 109.288 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.32 31.03 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-O 122.027 0.793 . . . . 0.0 112.128 173.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.89 126.0 47.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -81.88 106.69 14.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -79.47 64.99 4.5 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.125 1.37 . . . . 0.0 107.399 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.81 131.17 49.84 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 168.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 t -66.11 158.74 27.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.92 1.343 . . . . 0.0 111.686 -174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -72.34 -28.14 62.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.652 168.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -71.41 -50.89 27.49 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.436 1.094 . . . . 0.0 110.532 -174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -179.03 7.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.738 1.615 . . . . 0.0 108.066 -169.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -64.84 5.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.814 1.245 . . . . 0.0 113.829 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 p -66.19 160.64 23.77 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.361 1.864 . . . . 0.0 110.136 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.42 150.35 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.415 -0.803 . . . . 0.0 109.108 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -135.36 92.84 2.9 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.91 133.89 49.9 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.653 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -136.01 129.51 32.15 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 m -82.93 127.0 33.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -140.18 155.99 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-O 122.389 1.09 . . . . 0.0 110.815 -171.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -102.49 123.48 46.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 169.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.2 t -88.15 116.64 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.47 -36.52 45.16 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.48 -178.41 39.74 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.5 mmm -61.54 148.07 43.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.168 0.509 . . . . 0.0 109.685 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 167.84 11.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.026 0.931 . . . . 0.0 110.462 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -52.2 155.97 8.42 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.026 2.484 . . . . 0.0 112.951 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.71 -28.47 65.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.525 0.73 . . . . 0.0 111.878 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.93 -30.46 71.45 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.193 0.597 . . . . 0.0 111.812 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -81.06 -45.34 16.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.53 3.47 6.12 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -172.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.41 -14.5 55.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.15 1.38 . . . . 0.0 110.755 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -110.74 -44.35 3.66 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 124.007 0.923 . . . . 0.0 109.757 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -164.64 165.46 20.95 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.625 1.57 . . . . 0.0 106.894 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -79.64 127.61 32.39 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.526 1.512 . . . . 0.0 109.244 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -133.88 158.03 44.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.2 1.0 . . . . 0.0 109.891 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.33 141.75 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.695 1.598 . . . . 0.0 107.861 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -80.32 134.91 36.11 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.23 151.98 23.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.189 0.596 . . . . 0.0 110.32 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.56 137.15 54.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.894 1.278 . . . . 0.0 107.557 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -83.88 90.22 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.199 0.599 . . . . 0.0 112.403 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -55.42 -28.85 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.906 0.882 . . . . 0.0 109.941 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.1 -23.62 40.37 Favored Glycine 0 CA--C 1.535 1.292 0 CA-C-O 118.696 -1.058 . . . . 0.0 113.709 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.1 -46.63 0.15 Allowed Glycine 0 C--N 1.34 0.752 0 CA-C-N 119.433 1.617 . . . . 0.0 113.142 170.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.39 41.63 0.84 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.57 1.185 . . . . 0.0 111.272 -173.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.63 -21.62 66.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.798 1.239 . . . . 0.0 111.634 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.89 -10.07 35.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.426 1.491 . . . . 0.0 112.943 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -134.83 167.6 20.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.142 1.377 . . . . 0.0 109.525 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.22 148.63 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -172.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -137.5 -178.31 5.17 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 127.065 2.146 . . . . 0.0 108.213 -169.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -128.97 138.62 52.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.5 155.26 46.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.396 1.478 . . . . 0.0 107.869 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.17 137.81 49.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.05 -29.79 67.56 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m -57.72 -22.66 47.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.74 2.416 . . . . 0.0 113.369 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.42 9.85 18.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.358 1.463 . . . . 0.0 110.057 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mm -109.53 146.54 14.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.726 -1.234 . . . . 0.0 109.436 -176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.85 99.96 4.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.19 148.9 51.13 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.65 -0.656 . . . . 0.0 110.299 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.9 mt -116.89 130.74 71.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.02 40.85 10.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.111 1.764 . . . . 0.0 112.908 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 p -98.14 171.15 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.551 0.74 . . . . 0.0 110.879 -171.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.33 160.92 23.55 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.88 -38.75 89.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.127 0.971 . . . . 0.0 110.857 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.71 -49.08 64.5 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.444 0.566 . . . . 0.0 109.952 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -58.53 -43.15 89.11 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.52 -0.738 . . . . 0.0 110.124 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -44.4 96.37 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 119.262 -0.399 . . . . 0.0 109.946 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.56 -40.66 95.53 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 119.145 0.884 . . . . 0.0 112.139 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.37 -45.55 88.02 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.551 0.614 . . . . 0.0 110.424 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.88 -47.83 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.62 0.768 . . . . 0.0 109.505 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.57 -47.54 81.81 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.299 0.64 . . . . 0.0 110.621 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 46.5 t0 -63.3 -40.65 97.95 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.764 0.426 . . . . 0.0 110.853 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -62.06 -45.16 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 121.844 -0.535 . . . . 0.0 110.516 174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.82 -34.52 78.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.302 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 14.4 m-85 -60.58 -50.75 72.29 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.249 0.932 . . . . 0.0 109.274 173.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -63.14 -40.52 97.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.669 0.788 . . . . 0.0 109.741 -176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -55.86 -56.54 19.4 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.57 1.148 . . . . 0.0 109.22 176.137 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -23.62 67.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.151 0.98 . . . . 0.0 112.8 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -73.74 -9.01 58.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.412 0.685 . . . . 0.0 112.182 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.77 43.42 7.25 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.395 0.998 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.449 ' CE1' HD22 ' A' ' 120' ' ' LEU . 1.6 p90 -52.57 169.58 0.08 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.082 1.753 . . . . 0.0 114.642 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -122.98 -20.96 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.725 1.21 . . . . 0.0 112.414 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.275 1.43 . . . . 0.0 107.919 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.7 146.9 47.91 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -140.01 22.35 2.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.985 0.914 . . . . 0.0 111.473 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.26 116.77 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.138 0.975 . . . . 0.0 108.868 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.58 -27.4 69.16 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.673 -0.642 . . . . 0.0 111.886 -171.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -67.35 -14.06 62.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.492 1.117 . . . . 0.0 113.403 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -38.95 -53.95 1.7 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.3 2.24 . . . . 0.0 114.704 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.98 -44.16 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.813 0.279 . . . . 0.0 110.673 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -60.66 -37.02 80.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.304 0.641 . . . . 0.0 110.016 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -67.91 -48.5 65.81 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.572 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.57 -44.8 77.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.345 0.975 . . . . 0.0 110.484 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -64.52 -51.76 61.26 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.301 0.24 . . . . 0.0 111.293 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -67.93 -35.75 78.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.73 0.696 . . . . 0.0 111.98 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.73 -55.33 20.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.68 -41.84 98.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.739 0.416 . . . . 0.0 111.488 -175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.3 p -90.76 -19.32 23.64 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -129.01 -15.41 4.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.268 0.94 . . . . 0.0 113.428 -169.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mt -118.66 -43.45 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 119.697 1.135 . . . . 0.0 110.259 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 pt -128.0 20.54 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.978 0.808 . . . . 0.0 112.656 -172.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 p -50.93 -36.77 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.83 3.32 26.28 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 122.648 1.213 . . . . 0.0 111.592 -177.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.95 129.4 54.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.484 1.513 . . . . 0.0 110.258 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -147.57 -24.8 0.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.321 1.448 . . . . 0.0 110.214 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.03 138.9 38.21 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.38 -36.19 63.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.71 -39.81 84.31 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -68.85 -42.22 77.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.965 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -56.33 -49.39 74.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.23 91.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.967 0.507 . . . . 0.0 111.612 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 mmt -66.6 -36.59 82.99 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.111 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.62 85.09 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -57.69 -53.02 62.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.91 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.39 -47.37 85.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.88 0.872 . . . . 0.0 111.602 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -66.41 -43.54 85.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.706 0.402 . . . . 0.0 110.328 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -70.23 -39.66 74.93 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.24 0.473 . . . . 0.0 110.849 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.23 -48.77 69.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 116.591 -1.671 . . . . 0.0 109.333 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.06 -49.93 62.51 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 120.076 1.307 . . . . 0.0 108.47 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.3 t0 -64.2 -31.45 72.65 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 114.985 -2.686 . . . . 0.0 112.924 -168.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.3 m -73.87 -43.67 57.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 123.899 0.749 . . . . 0.0 109.662 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.39 146.73 54.52 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.252 1.021 . . . . 0.0 110.139 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -127.23 53.27 1.74 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.422 1.489 . . . . 0.0 108.232 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.4 p90 -58.15 162.58 5.52 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.279 1.432 . . . . 0.0 111.843 172.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -66.28 152.6 81.27 Favored 'Cis proline' 0 C--N 1.352 0.733 0 CA-C-N 120.229 1.118 . . . . 0.0 112.366 -1.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -150.98 163.23 39.22 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -87.85 142.99 27.37 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.421 -0.799 . . . . 0.0 108.917 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.55 170.14 30.43 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 118.873 0.761 . . . . 0.0 111.587 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.93 126.28 47.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 169.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -81.9 103.53 11.62 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 169.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.69 64.73 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -53.38 116.09 2.26 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 125.045 1.338 . . . . 0.0 107.918 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -80.89 29.48 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.695 1.134 . . . . 0.0 113.557 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 p -151.18 140.76 21.65 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.559 1.072 . . . . 0.0 112.014 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -155.78 -50.19 0.08 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.173 1.389 . . . . 0.0 108.764 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -134.22 87.81 2.4 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m 64.52 -157.69 0.3 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -65.8 18.56 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.51 2.324 . . . . 0.0 116.553 -169.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 p -66.24 133.05 49.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.597 -1.315 . . . . 0.0 109.706 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.43 139.27 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -127.97 150.61 49.83 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.17 134.63 50.13 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.813 -0.555 . . . . 0.0 110.061 -169.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.23 135.96 32.88 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 170.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -90.63 127.34 36.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.5 156.76 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 122.169 0.985 . . . . 0.0 111.282 -169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.31 118.27 36.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 168.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.67 136.36 23.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -92.58 -26.81 17.71 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.013 0.525 . . . . 0.0 109.813 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.474 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.34 179.26 35.0 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.78 146.31 46.55 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 169.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.64 158.75 48.49 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.07 168.4 15.74 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.194 1.929 . . . . 0.0 111.097 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -54.57 -25.74 27.96 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 112.744 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.66 -19.64 58.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.151 0.98 . . . . 0.0 112.574 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -111.56 -42.31 3.89 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.748 1.219 . . . . 0.0 109.454 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.54 3.21 4.1 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -173.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.71 -15.67 55.91 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 110.856 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -113.55 -40.56 3.81 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.394 0.678 . . . . 0.0 110.633 -169.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -163.55 165.32 23.7 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -81.14 126.66 31.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.844 1.202 . . . . 0.0 109.208 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -137.0 159.83 40.71 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.187 0.995 . . . . 0.0 110.028 -176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.47 140.65 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.774 1.63 . . . . 0.0 107.245 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -80.18 133.92 36.09 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 170.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.49 149.91 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.232 0.613 . . . . 0.0 110.275 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.79 54.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.79 122.09 18.52 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.455 0.302 . . . . 0.0 110.237 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.22 -26.9 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.653 0.781 . . . . 0.0 109.285 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.16 -34.0 88.78 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 123.976 0.798 . . . . 0.0 113.352 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.32 -44.03 0.02 OUTLIER Glycine 0 CA--C 1.526 0.73 0 CA-C-N 118.199 0.999 . . . . 0.0 114.015 -173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.14 -51.94 40.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.956 1.378 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 57.73 -20.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.87 2.868 . . . . 0.0 116.607 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -141.44 22.79 2.18 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.528 1.531 . . . . 0.0 111.217 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -135.37 157.39 47.03 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.781 1.232 . . . . 0.0 108.335 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.72 152.2 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.073 0.949 . . . . 0.0 109.531 -169.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.0 -177.84 5.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.945 2.498 . . . . 0.0 108.32 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 m -127.35 138.38 53.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 172.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.54 153.84 47.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.371 1.468 . . . . 0.0 108.057 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -70.94 136.47 48.53 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.85 -29.11 66.7 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -57.9 -24.69 58.88 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.623 1.969 . . . . 0.0 113.76 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.13 10.32 18.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.302 1.441 . . . . 0.0 109.614 -174.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -112.79 145.23 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 O-C-N 120.926 -1.108 . . . . 0.0 108.309 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -134.04 117.1 16.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.68 147.75 47.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.9 131.64 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 124.792 1.237 . . . . 0.0 107.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.32 38.98 8.04 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.306 1.842 . . . . 0.0 113.288 172.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -96.96 169.61 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.441 0.696 . . . . 0.0 110.488 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.34 163.72 27.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 110.577 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.46 -46.18 87.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.96 1.304 . . . . 0.0 112.442 -169.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -42.37 84.86 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.098 0.408 . . . . 0.0 110.081 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.7 m -64.36 -42.18 96.35 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -62.07 -44.38 96.79 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.01 -36.51 79.69 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.693 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.15 95.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.65 1.113 . . . . 0.0 111.842 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.27 -50.06 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.12 91.01 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.395 0.543 . . . . 0.0 110.202 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.06 -48.88 75.22 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.239 1.416 . . . . 0.0 111.451 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -70.91 -34.77 71.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.917 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -64.89 -37.13 86.6 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.756 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -61.94 -44.22 97.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 119.663 1.12 . . . . 0.0 109.64 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -66.8 -35.38 79.93 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.729 0.695 . . . . 0.0 111.493 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.31 -50.74 71.77 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.46 78.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.671 0.788 . . . . 0.0 112.303 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.15 -21.4 61.59 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.673 1.589 . . . . 0.0 111.731 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.5 16.33 32.12 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 118.26 -1.3 . . . . 0.0 112.781 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 55.13 176.47 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.757 2.023 . . . . 0.0 113.34 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -141.14 -38.78 0.41 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.636 1.174 . . . . 0.0 111.021 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 127.603 2.361 . . . . 0.0 106.265 -175.218 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 139.94 57.47 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.108 0.563 . . . . 0.0 109.918 173.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -75.18 17.38 0.25 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.58 1.152 . . . . 0.0 113.13 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.63 -1.16 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 126.524 1.93 . . . . 0.0 110.55 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 39.84 -82.5 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.622 3.169 . . . . 0.0 115.499 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 11.95 0.16 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.952 2.101 . . . . 0.0 114.686 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.25 -7.16 5.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.442 1.897 . . . . 0.0 114.846 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.49 -26.4 63.4 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.955 -1.091 . . . . 0.0 113.553 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 p -57.63 -47.41 82.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.118 0.967 . . . . 0.0 110.716 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -68.3 -37.04 80.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.499 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.77 -40.95 85.43 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.695 1.134 . . . . 0.0 110.89 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.89 -42.28 90.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.516 0.598 . . . . 0.0 111.021 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.9 -39.88 95.21 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.505 -0.747 . . . . 0.0 111.369 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -59.98 -52.33 62.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.188 1.395 . . . . 0.0 108.053 174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.22 -44.58 92.28 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.191 0.596 . . . . 0.0 111.378 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 p -83.24 4.37 27.19 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -148.77 -49.48 0.15 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 113.536 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -81.63 -39.63 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 118.714 0.688 . . . . 0.0 109.774 -170.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.38 23.55 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.12 -38.4 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.61 0.29 22.45 Favored 'General case' 0 C--O 1.248 0.983 0 CA-C-O 122.911 1.338 . . . . 0.0 111.705 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.63 125.8 51.47 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 110.302 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -151.86 -22.24 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.148 -1.387 . . . . 0.0 113.043 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -69.83 139.2 53.1 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -57.42 -34.82 69.31 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.02 -38.76 82.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -69.02 -45.32 70.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -60.88 -43.83 97.89 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.252 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.43 87.59 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.224 0.466 . . . . 0.0 110.819 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -68.42 -38.97 81.74 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.22 -48.87 83.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -57.51 -50.5 72.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.901 171.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -57.78 -55.54 33.52 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 111.655 -172.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -71.58 -32.09 67.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.015 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.03 -40.48 78.58 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.914 0.779 . . . . 0.0 110.674 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.71 -46.62 74.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 116.554 -1.689 . . . . 0.0 109.77 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.31 -49.79 66.31 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 120.073 1.306 . . . . 0.0 108.015 172.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.385 13.6 t0 -64.22 -31.05 72.1 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 115.113 -2.635 . . . . 0.0 112.828 -168.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 m -75.11 -43.32 53.51 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 123.813 0.696 . . . . 0.0 109.677 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -66.21 149.57 50.12 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.122 0.969 . . . . 0.0 110.043 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -127.88 53.09 1.8 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.28 1.432 . . . . 0.0 108.036 172.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 13.1 p90 -59.13 158.93 16.18 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.39 1.076 . . . . 0.0 111.888 176.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.59 152.84 86.1 Favored 'Cis proline' 0 C--N 1.352 0.731 0 CA-C-N 120.2 1.107 . . . . 0.0 112.751 0.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.35 167.73 27.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.382 1.073 . . . . 0.0 109.593 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -98.25 145.1 26.98 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.148 -0.97 . . . . 0.0 109.966 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.49 172.75 33.0 Favored Glycine 0 C--N 1.336 0.574 0 O-C-N 121.124 -0.985 . . . . 0.0 111.864 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -101.33 125.73 48.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -81.66 105.63 12.96 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -80.08 67.36 5.87 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.03 113.39 2.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.72 0.808 . . . . 0.0 109.441 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -69.57 127.04 31.59 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 169.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 m -144.82 169.18 18.54 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.863 0.865 . . . . 0.0 110.69 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 67.11 161.46 0.17 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.523 1.929 . . . . 0.0 111.505 174.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.37 -31.74 66.09 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.033 -1.042 . . . . 0.0 111.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 p -70.87 -9.23 57.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.727 1.611 . . . . 0.0 113.262 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m 52.21 42.41 30.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.416 1.007 . . . . 0.0 111.455 -169.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -68.81 140.57 55.26 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -83.27 113.03 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -90.32 157.21 17.76 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 168.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.44 128.54 43.14 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.892 -1.13 . . . . 0.0 109.312 -176.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -137.76 129.17 27.96 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -77.0 129.83 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.3 m -141.8 155.04 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 122.417 1.103 . . . . 0.0 110.47 -172.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.06 121.73 40.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.3 t -82.23 111.62 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.3 -36.59 71.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.85 -178.52 40.54 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.5 mtp -63.34 151.02 41.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.66 166.7 8.78 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 123.344 0.658 . . . . 0.0 110.195 172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.06 155.0 9.42 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.85 2.367 . . . . 0.0 112.526 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.32 -28.6 65.2 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.253 0.621 . . . . 0.0 111.57 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.78 -32.77 74.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.56 0.744 . . . . 0.0 111.909 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.94 -44.06 17.26 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.69 6.49 3.12 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.75 -17.9 57.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.681 1.193 . . . . 0.0 110.29 169.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.01 -43.36 4.87 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.667 0.787 . . . . 0.0 109.993 -171.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -166.72 164.95 16.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.331 1.452 . . . . 0.0 107.509 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -80.04 125.55 29.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.225 1.375 . . . . 0.0 109.048 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.18 159.55 38.65 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.152 0.981 . . . . 0.0 109.569 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.83 139.47 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 125.47 1.508 . . . . 0.0 108.191 -177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.13 126.83 31.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 169.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.5 145.2 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.26 144.2 51.09 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.967 0.907 . . . . 0.0 108.762 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.28 139.23 54.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.7 mt -109.14 -19.35 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 C-N-CA 124.649 1.18 . . . . 0.0 109.56 169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.41 -39.27 94.6 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.901 -1.124 . . . . 0.0 113.099 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.38 24.28 0.95 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.39 1.472 . . . . 0.0 113.734 171.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.26 -58.46 7.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.974 1.387 . . . . 0.0 108.871 174.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.2 t0 178.94 174.15 0.7 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.453 3.101 . . . . 0.0 104.617 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.97 18.85 0.09 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.152 1.381 . . . . 0.0 111.846 170.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.4 154.9 40.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.724 1.209 . . . . 0.0 110.312 -174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.11 151.36 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 126.51 1.924 . . . . 0.0 109.72 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -142.76 170.6 15.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.337 1.855 . . . . 0.0 108.823 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.2 m -123.55 74.71 1.27 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 159.97 33.52 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.443 0.697 . . . . 0.0 110.09 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -78.42 142.91 37.22 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -30.72 68.88 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 169.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -60.18 -18.35 47.45 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.812 1.645 . . . . 0.0 113.324 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.84 5.41 26.45 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.952 1.301 . . . . 0.0 110.295 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -117.64 148.73 20.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.054 1.342 . . . . 0.0 108.89 -169.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.61 118.72 17.52 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.44 147.17 42.24 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.058 -0.401 . . . . 0.0 110.171 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.6 mt -118.29 126.66 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.727 1.211 . . . . 0.0 108.153 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 t70 51.21 31.85 7.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.035 1.734 . . . . 0.0 113.892 170.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -82.42 172.78 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.407 0 O-C-N 121.503 -0.748 . . . . 0.0 111.374 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -71.04 164.4 25.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.743 0.782 . . . . 0.0 109.975 172.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.56 -46.52 88.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.858 1.263 . . . . 0.0 111.901 -169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.55 -42.65 91.66 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 118.075 0.398 . . . . 0.0 110.122 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.88 -42.02 99.61 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -61.5 -44.25 97.41 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.74 0.7 . . . . 0.0 110.006 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.57 -38.43 84.54 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 118.766 -0.635 . . . . 0.0 111.399 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.11 95.65 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.024 0.829 . . . . 0.0 111.232 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.99 -51.5 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.35 87.02 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.815 0.446 . . . . 0.0 110.315 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.52 -38.27 86.82 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.692 0.397 . . . . 0.0 111.649 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -67.41 -36.64 81.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.149 -0.344 . . . . 0.0 110.769 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.78 -32.23 73.39 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.393 -0.817 . . . . 0.0 110.996 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.41 -42.03 92.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.824 1.193 . . . . 0.0 110.178 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -63.57 -36.68 84.6 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.339 0.972 . . . . 0.0 111.805 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.03 -47.38 86.69 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.732 0.813 . . . . 0.0 112.636 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -67.27 -15.21 63.56 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.118 1.367 . . . . 0.0 111.284 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.33 26.06 62.34 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.622 -1.099 . . . . 0.0 111.899 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 57.15 171.05 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.049 2.539 . . . . 0.0 113.924 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -139.93 -8.07 1.22 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 118.383 -0.818 . . . . 0.0 113.017 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.662 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 tpp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 176.21 10.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.334 1.454 . . . . 0.0 108.091 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -127.75 32.43 4.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.975 1.31 . . . . 0.0 110.033 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.33 -16.52 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 125.552 1.541 . . . . 0.0 112.852 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -60.5 157.39 14.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.06 0.944 . . . . 0.0 111.362 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -52.66 -51.62 59.4 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.089 1.356 . . . . 0.0 112.204 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -167.3 177.51 6.06 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.69 1.996 . . . . 0.0 106.526 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.79 -8.72 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.512 1.125 . . . . 0.0 113.371 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -52.68 -46.7 67.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.668 1.187 . . . . 0.0 109.795 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -62.28 -45.92 91.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.298 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.37 -44.63 88.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.09 0.859 . . . . 0.0 109.868 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -62.28 -48.25 80.72 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.393 0.677 . . . . 0.0 110.838 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -64.19 -41.41 97.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.764 0.711 . . . . 0.0 110.795 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -55.66 -55.16 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.81 -42.8 99.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.72 0.408 . . . . 0.0 111.718 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -88.0 -22.47 24.24 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -169.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.54 -7.81 2.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -169.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 mt -114.72 -44.48 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.84 1.2 . . . . 0.0 109.644 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.85 21.97 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.16 0.891 . . . . 0.0 113.151 -169.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.2 -39.35 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -111.05 5.12 20.0 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 124.823 1.249 . . . . 0.0 111.448 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.96 130.53 54.6 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.113 1.365 . . . . 0.0 109.856 -169.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -142.92 -32.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.724 1.209 . . . . 0.0 109.669 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.4 146.95 42.53 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -51.62 -45.83 63.39 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.68 -0.638 . . . . 0.0 112.058 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.79 -37.71 79.46 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.59 -48.41 64.24 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.892 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -65.18 -37.6 87.85 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.707 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.26 81.78 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.247 0.93 . . . . 0.0 110.345 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -64.43 -38.67 91.83 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -48.58 85.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -58.68 -48.86 79.65 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.679 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.87 -47.7 81.99 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.692 0.797 . . . . 0.0 111.59 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.65 -46.69 81.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.803 0.441 . . . . 0.0 110.243 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.04 -38.44 75.84 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.911 0.323 . . . . 0.0 110.898 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.52 -47.84 74.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 116.488 -1.72 . . . . 0.0 109.486 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -52.68 -50.05 64.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 120.201 1.364 . . . . 0.0 108.547 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 12.4 t0 -64.32 -31.19 72.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 114.869 -2.732 . . . . 0.0 113.121 -168.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -73.34 -45.41 55.31 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.897 0.748 . . . . 0.0 109.614 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.97 142.54 58.31 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.019 0.927 . . . . 0.0 109.472 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -124.54 55.33 1.33 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.92 1.288 . . . . 0.0 107.895 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.2 p90 -59.43 160.33 13.67 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.09 1.356 . . . . 0.0 112.041 176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.28 152.61 88.2 Favored 'Cis proline' 0 C--N 1.351 0.682 0 CA-C-N 119.861 0.986 . . . . 0.0 112.733 -0.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -149.84 163.93 36.7 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.435 1.094 . . . . 0.0 109.267 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -91.46 144.53 25.47 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.338 -0.851 . . . . 0.0 109.146 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.4 172.0 31.6 Favored Glycine 0 N--CA 1.448 -0.531 0 O-C-N 121.069 -1.019 . . . . 0.0 111.16 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -101.54 121.9 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -81.72 102.39 10.71 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.585 -2.376 . . . . 0.0 104.585 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -95.16 64.55 2.75 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.267 1.827 . . . . 0.0 107.249 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.04 113.47 1.37 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.28 1.432 . . . . 0.0 110.061 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -87.88 48.02 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.547 1.139 . . . . 0.0 110.077 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -143.23 24.65 1.77 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -54.91 -41.1 70.54 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.273 0.942 . . . . 0.0 111.75 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -158.53 -64.57 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -81.96 -174.99 5.38 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 168.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.42 64.34 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.092 1.357 . . . . 0.0 110.774 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -132.31 140.5 48.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.635 1.574 . . . . 0.0 108.205 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.43 142.97 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.307 1.043 . . . . 0.0 110.538 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -141.45 137.45 32.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -128.04 143.07 51.06 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -169.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -141.6 135.56 30.14 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 125.103 1.361 . . . . 0.0 107.503 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -74.13 134.42 42.85 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -143.01 157.47 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 122.423 1.106 . . . . 0.0 110.299 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -100.83 121.76 42.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 168.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.65 116.95 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 175.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.83 -37.0 41.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 123.067 0.547 . . . . 0.0 109.845 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.29 -177.52 40.62 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.3 mmm -61.9 147.79 45.62 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.65 168.05 11.51 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 110.547 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.63 156.05 9.4 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.028 2.485 . . . . 0.0 112.949 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.25 -29.28 65.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.615 0.766 . . . . 0.0 111.972 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.29 -31.9 73.17 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.399 0.68 . . . . 0.0 111.835 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.33 -43.55 17.31 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.5 m -72.15 6.24 2.31 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.72 -11.46 55.78 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.382 1.473 . . . . 0.0 111.633 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -117.95 -37.59 3.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.582 0.753 . . . . 0.0 111.575 -169.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -159.12 169.88 23.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.6 mmt -81.48 129.09 34.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 120.35 1.432 . . . . 0.0 107.482 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.96 157.02 47.09 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.753 0.821 . . . . 0.0 109.461 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.86 140.49 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 125.457 1.503 . . . . 0.0 107.785 -176.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.51 130.71 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -139.09 148.11 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.77 127.63 43.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.49 154.0 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 111.428 -172.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.06 32.37 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 108.866 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.56 24.14 0.04 OUTLIER Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.23 -51.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.122 1.461 . . . . 0.0 111.129 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -128.83 -15.46 4.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.899 1.28 . . . . 0.0 111.332 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.44 115.51 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.767 2.827 . . . . 0.0 113.413 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 68.06 -8.43 0.56 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.916 2.486 . . . . 0.0 114.745 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.81 135.53 51.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.06 150.16 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.2 1.0 . . . . 0.0 111.407 -169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -142.14 179.76 6.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 128.479 2.712 . . . . 0.0 108.03 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 m -125.31 134.29 52.3 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 169.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 153.43 46.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.305 1.442 . . . . 0.0 107.774 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -71.25 138.53 49.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.26 -28.47 68.08 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -58.95 -16.67 18.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.833 2.053 . . . . 0.0 113.395 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 13.16 12.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.92 1.288 . . . . 0.0 109.11 -173.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.5 145.49 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 O-C-N 120.943 -1.098 . . . . 0.0 108.731 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.22 131.91 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 169.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.15 148.08 25.84 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.4 mt -118.53 131.49 71.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 46.75 41.21 9.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.923 1.689 . . . . 0.0 112.855 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.11 171.65 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.672 0.789 . . . . 0.0 110.278 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.46 159.57 21.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.927 0.87 . . . . 0.0 110.352 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.59 -41.37 90.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.698 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.01 -40.5 71.75 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.216 0.462 . . . . 0.0 110.222 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.5 m -65.29 -44.58 87.49 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -63.78 -40.89 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.735 0.698 . . . . 0.0 109.676 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.17 -36.99 76.26 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 118.955 0.798 . . . . 0.0 111.751 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.14 91.82 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.812 0.733 . . . . 0.0 110.891 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.52 -52.2 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.46 92.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.803 0.441 . . . . 0.0 110.421 -175.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 32.8 t70 -65.69 -36.49 83.77 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 122.66 0.384 . . . . 0.0 111.958 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -66.96 -40.95 87.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.87 -32.71 74.54 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.413 -0.804 . . . . 0.0 110.784 176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.9 m-30 -61.43 -54.89 37.63 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.548 1.067 . . . . 0.0 109.027 171.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -56.88 -41.69 78.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.5 0.72 . . . . 0.0 111.51 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.65 -51.88 67.02 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.867 0.867 . . . . 0.0 109.901 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -22.5 66.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.541 0.736 . . . . 0.0 112.909 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -72.53 -13.6 61.45 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.622 1.101 . . . . 0.0 111.628 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.81 38.15 65.96 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.58 177.68 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.34 2.256 . . . . 0.0 113.853 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -131.79 -4.27 3.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.319 1.047 . . . . 0.0 111.551 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.524 -1.227 . . . . 0.0 108.787 172.408 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.14 149.23 52.45 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.137 0.975 . . . . 0.0 110.848 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -74.75 19.79 0.13 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.727 1.611 . . . . 0.0 113.051 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 p -132.72 9.67 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.128 1.371 . . . . 0.0 110.799 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -77.47 40.75 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.129 1.372 . . . . 0.0 110.209 169.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -61.97 -33.53 74.47 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.14 -0.975 . . . . 0.0 111.911 -172.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -160.85 174.12 14.33 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.468 1.907 . . . . 0.0 106.414 173.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -103.37 12.96 34.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.941 1.696 . . . . 0.0 110.869 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -53.72 -50.21 66.44 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.48 1.512 . . . . 0.0 110.704 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -65.08 -41.48 95.02 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.2 -37.94 89.2 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.4 1.0 . . . . 0.0 111.122 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.26 -42.35 99.25 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.863 0.465 . . . . 0.0 110.553 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -70.64 -39.91 73.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.75 0.704 . . . . 0.0 111.18 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -54.92 -50.98 57.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.28 -45.01 92.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.889 0.876 . . . . 0.0 111.238 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -91.4 -12.23 35.42 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -169.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -131.16 -14.51 3.4 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -121.99 -43.62 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.393 0.997 . . . . 0.0 110.721 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt -129.81 23.38 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -49.18 -37.33 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.89 1.09 17.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 122.438 1.113 . . . . 0.0 111.425 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.61 52.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.597 1.559 . . . . 0.0 110.794 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -153.83 -23.17 0.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.476 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -69.56 139.41 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.86 -35.3 68.72 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -168.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.1 -37.36 78.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -69.56 -44.88 69.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -59.62 -45.33 92.28 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.623 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.89 76.8 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 118.103 0.411 . . . . 0.0 111.118 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.66 -39.5 88.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.433 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.82 -49.17 81.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -58.67 -50.66 73.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.797 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.32 -49.51 77.56 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.679 0.792 . . . . 0.0 111.477 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -65.33 -43.94 89.37 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.987 0.358 . . . . 0.0 110.207 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -70.07 -40.44 75.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.928 0.331 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.93 -48.86 74.87 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 116.398 -1.763 . . . . 0.0 109.09 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -53.16 -50.11 65.26 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-N 120.101 1.319 . . . . 0.0 107.978 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.2 t0 -64.55 -31.07 72.13 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 115.073 -2.651 . . . . 0.0 112.932 -168.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -77.09 -42.58 37.61 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.51 0.724 . . . . 0.0 109.586 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.02 143.34 56.7 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.049 0.94 . . . . 0.0 109.532 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -124.99 53.55 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.04 1.336 . . . . 0.0 107.935 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.7 p90 -58.22 160.06 10.03 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.905 1.282 . . . . 0.0 111.661 173.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.09 153.17 87.92 Favored 'Cis proline' 0 C--N 1.351 0.671 0 CA-C-N 120.08 1.064 . . . . 0.0 112.824 0.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.31 162.72 39.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.383 1.073 . . . . 0.0 109.142 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.1 ttt -91.78 142.28 27.75 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.71 168.14 30.47 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 119.065 0.848 . . . . 0.0 111.294 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -95.78 124.8 39.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 169.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -84.06 103.52 13.36 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 168.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -91.35 64.83 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.15 119.92 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.34 0.656 . . . . 0.0 110.363 -170.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -64.87 125.45 24.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 m -147.23 -169.52 3.33 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.337 1.055 . . . . 0.0 111.379 -169.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 64.83 7.85 4.18 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.505 1.922 . . . . 0.0 113.305 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp 52.44 27.13 4.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.768 1.227 . . . . 0.0 111.444 -169.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 p -135.48 16.35 3.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.178 1.391 . . . . 0.0 109.899 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m 52.92 28.41 6.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.921 1.688 . . . . 0.0 112.547 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.3 m -72.5 131.08 42.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.25 134.38 29.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -120.26 104.81 10.36 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.01 138.85 48.25 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.119 0.568 . . . . 0.0 110.714 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -139.79 145.26 37.98 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 168.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.2 m -100.56 124.37 46.03 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.94 156.67 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 122.43 1.11 . . . . 0.0 111.87 -169.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -102.94 118.21 36.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 169.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.82 118.15 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.3 -37.37 32.84 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 122.483 0.313 . . . . 0.0 110.227 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.77 177.53 38.06 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -64.37 148.91 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.131 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 160.02 42.01 Favored Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 123.353 0.661 . . . . 0.0 109.677 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.25 166.52 21.01 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.237 1.958 . . . . 0.0 111.517 175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -53.93 -25.8 22.25 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.852 1.261 . . . . 0.0 112.797 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.95 -22.82 50.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.558 1.143 . . . . 0.0 112.66 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -117.75 -35.26 3.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.325 1.05 . . . . 0.0 110.054 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.5 m -69.31 1.93 3.39 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -80.03 -17.61 52.33 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.03 1.332 . . . . 0.0 111.052 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -39.36 4.77 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.566 0.621 . . . . 0.0 110.555 -170.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -162.69 165.51 25.57 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -78.73 123.78 27.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.449 1.022 . . . . 0.0 108.836 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -133.46 158.1 43.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.395 1.078 . . . . 0.0 110.117 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -142.57 140.41 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.447 1.499 . . . . 0.0 108.254 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.29 133.97 35.52 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -139.56 148.4 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.286 0.635 . . . . 0.0 109.454 -173.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.08 55.43 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.41 109.33 7.8 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.86 0.464 . . . . 0.0 110.381 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.39 -30.47 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 172.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.14 -35.51 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.824 1.202 . . . . 0.0 114.007 -170.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.93 -48.05 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.406 1.103 . . . . 0.0 114.216 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -71.78 -51.77 20.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.921 1.36 . . . . 0.0 110.688 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.4 t70 49.94 21.8 0.77 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.3 2.24 . . . . 0.0 114.172 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -154.82 12.43 0.38 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.133 . . . . 0.0 111.578 -170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -149.24 160.35 43.46 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.665 1.186 . . . . 0.0 109.173 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.9 147.0 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.448 1.099 . . . . 0.0 108.275 -169.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -132.89 -179.32 5.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.501 2.32 . . . . 0.0 108.571 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -124.63 138.9 54.28 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.29 156.3 44.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.73 1.612 . . . . 0.0 107.907 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -73.66 139.05 45.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.99 -29.89 67.56 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -62.02 -11.31 13.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.336 2.254 . . . . 0.0 113.928 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.42 8.74 9.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.967 1.307 . . . . 0.0 109.429 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.4 145.34 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 121.084 -1.01 . . . . 0.0 108.5 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.48 115.29 11.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.03 154.98 41.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.297 0.57 . . . . 0.0 110.795 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.25 131.68 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.88 41.18 14.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.012 1.725 . . . . 0.0 113.238 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 p -101.76 170.84 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.491 0.716 . . . . 0.0 110.773 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -77.96 164.1 25.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.595 0.712 . . . . 0.0 110.61 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.98 -41.92 79.28 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.617 1.567 . . . . 0.0 112.048 -171.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.89 -46.52 71.39 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.378 0.535 . . . . 0.0 110.421 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.4 m -63.77 -42.67 97.74 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.656 -0.652 . . . . 0.0 109.281 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.62 -45.45 94.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.87 -44.18 97.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.652 0.781 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.35 -44.52 80.16 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.394 0.543 . . . . 0.0 110.675 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.6 mt -70.71 -50.36 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.564 0.746 . . . . 0.0 109.549 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.95 -49.07 79.23 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.483 0.713 . . . . 0.0 110.742 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.24 -40.69 91.15 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.269 1.027 . . . . 0.0 110.993 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -63.06 -45.68 91.04 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.338 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.06 -35.81 82.35 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.518 0.599 . . . . 0.0 111.075 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.44 -49.38 69.38 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 118.793 0.724 . . . . 0.0 109.686 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -58.82 -39.59 81.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 111.071 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.9 -50.22 71.29 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.356 1.063 . . . . 0.0 109.779 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.91 71.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.252 0.621 . . . . 0.0 111.967 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -64.31 -17.38 63.61 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.797 0.839 . . . . 0.0 112.661 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.93 40.04 2.06 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 118.957 0.799 . . . . 0.0 113.05 169.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -51.37 160.25 0.59 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.804 0.842 . . . . 0.0 112.715 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -136.23 -10.96 1.95 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -169.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 120.076 1.307 . . . . 0.0 109.893 177.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.08 50.46 7.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.128 1.371 . . . . 0.0 110.851 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -78.78 28.76 0.21 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.379 1.872 . . . . 0.0 111.484 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.39 -30.66 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.088 1.755 . . . . 0.0 113.19 -171.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.67 164.44 36.93 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.922 1.289 . . . . 0.0 108.753 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -22.13 66.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -169.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -155.01 169.13 24.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.762 0.825 . . . . 0.0 109.531 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.86 11.0 0.74 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.92 2.088 . . . . 0.0 111.909 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -41.63 60.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.676 1.191 . . . . 0.0 110.761 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -60.84 -49.73 76.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.544 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.66 -36.16 81.87 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.159 0.436 . . . . 0.0 110.652 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.38 -51.36 69.82 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 118.961 -0.542 . . . . 0.0 109.923 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.18 -41.58 97.04 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.89 0.768 . . . . 0.0 110.742 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.25 -54.22 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.81 -47.02 88.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.267 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -92.98 -9.12 41.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.545 1.066 . . . . 0.0 113.215 -169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -132.8 -13.36 2.88 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -170.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.0 mt -121.29 -43.07 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.728 1.149 . . . . 0.0 110.322 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 pt -127.94 20.87 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 119.178 0.899 . . . . 0.0 112.828 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -52.71 -37.86 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -104.83 2.64 30.25 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.5 1.143 . . . . 0.0 111.445 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.67 134.01 48.55 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.259 1.423 . . . . 0.0 110.144 -169.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -148.71 -30.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.116 1.766 . . . . 0.0 109.855 169.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.65 141.64 44.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -56.42 -35.93 68.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -168.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -66.97 -40.58 87.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -69.7 -42.27 74.29 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.962 -0.461 . . . . 0.0 109.898 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -57.03 -49.05 77.01 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.99 86.66 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.618 0.367 . . . . 0.0 111.756 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -70.97 -35.37 72.12 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.581 0.628 . . . . 0.0 112.586 -175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.54 -48.31 85.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -58.58 -50.86 72.27 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.527 -0.749 . . . . 0.0 111.234 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -55.57 -55.29 33.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.481 0.582 . . . . 0.0 111.926 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -71.95 -33.26 68.06 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.156 -172.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.38 -40.4 85.69 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.833 0.742 . . . . 0.0 110.536 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.59 -49.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 116.075 -1.917 . . . . 0.0 109.796 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.69 -49.75 64.69 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 120.113 1.324 . . . . 0.0 107.879 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.397 13.0 t0 -64.7 -30.9 71.93 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 114.9 -2.72 . . . . 0.0 113.13 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.1 m -77.4 -44.38 29.4 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.667 0.605 . . . . 0.0 109.608 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.24 145.87 49.79 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.251 1.02 . . . . 0.0 109.741 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -127.03 51.12 1.91 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.36 1.464 . . . . 0.0 108.046 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 12.3 p90 -58.28 159.11 12.18 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.55 1.14 . . . . 0.0 111.487 174.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.94 153.36 84.08 Favored 'Cis proline' 0 C--N 1.351 0.663 0 CA-C-N 120.288 1.139 . . . . 0.0 112.579 0.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.38 167.85 25.84 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.395 1.078 . . . . 0.0 109.305 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -101.08 143.47 31.16 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.664 0.786 . . . . 0.0 109.07 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.18 179.07 29.03 Favored Glycine 0 N--CA 1.448 -0.508 0 O-C-N 121.479 -0.763 . . . . 0.0 111.571 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -104.72 125.34 50.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -81.38 109.74 16.15 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 168.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -88.31 61.45 6.2 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -59.65 122.46 14.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.886 0.874 . . . . 0.0 110.351 -169.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -73.11 52.12 0.33 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.128 1.371 . . . . 0.0 111.993 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -147.33 19.94 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -169.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -59.56 -37.75 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.428 1.467 . . . . 0.0 111.759 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.13 -49.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 109.726 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 p -138.6 -66.86 0.47 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -137.12 11.39 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.313 1.445 . . . . 0.0 111.439 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.48 145.24 55.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.217 1.407 . . . . 0.0 108.589 169.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.6 mm -81.55 133.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -112.41 150.99 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.41 113.8 18.0 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -123.87 125.83 45.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -76.77 130.42 37.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.77 159.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-O 122.145 0.974 . . . . 0.0 111.476 -169.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.9 125.2 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 168.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.38 114.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.96 -37.6 64.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.54 -179.89 40.21 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.3 mtp -62.94 146.41 53.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.09 0.471 . . . . 0.0 109.819 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.44 164.49 37.45 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 123.373 0.669 . . . . 0.0 109.257 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.33 143.38 20.1 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.811 2.341 . . . . 0.0 112.861 174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.25 -28.13 64.63 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.815 0.846 . . . . 0.0 111.734 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.01 -23.55 66.5 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 112.871 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.76 -15.24 22.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.296 0.639 . . . . 0.0 111.052 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.1 m -93.75 28.57 2.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.831 0.852 . . . . 0.0 112.626 -169.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.85 -15.25 54.66 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.402 -0.811 . . . . 0.0 112.995 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -134.03 -18.45 2.06 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -156.76 169.75 24.02 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 171.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -95.55 140.51 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -132.6 158.21 42.81 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.113 0.565 . . . . 0.0 110.261 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -142.63 139.52 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.036 1.335 . . . . 0.0 109.23 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.83 133.54 38.16 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -146.95 146.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -168.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.3 136.84 47.18 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 124.664 1.186 . . . . 0.0 108.456 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.54 123.55 24.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.918 0.487 . . . . 0.0 110.231 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -86.68 -25.97 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.23 -33.3 85.54 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.171 0.891 . . . . 0.0 113.714 -169.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -45.05 0.03 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.267 1.034 . . . . 0.0 113.459 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.31 -64.41 0.9 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.91 1.355 . . . . 0.0 110.26 -174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.6 t70 48.52 20.95 0.35 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.562 1.945 . . . . 0.0 113.295 -169.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -157.78 12.07 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.891 1.276 . . . . 0.0 111.812 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -145.12 156.06 43.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.417 1.087 . . . . 0.0 108.486 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.52 152.62 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.176 0.99 . . . . 0.0 108.973 -169.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -140.06 -175.12 4.12 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.715 2.406 . . . . 0.0 108.62 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -129.22 142.16 50.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 169.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.96 165.57 25.36 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 125.098 1.359 . . . . 0.0 108.498 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 141.6 39.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.81 -30.8 69.17 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 168.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 m -59.77 -11.25 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.595 1.958 . . . . 0.0 113.807 172.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.07 5.04 15.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.012 1.325 . . . . 0.0 110.861 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -117.46 152.63 19.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 125.731 1.613 . . . . 0.0 109.019 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.39 125.92 25.23 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.63 154.1 38.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.708 0.685 . . . . 0.0 110.239 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 75.9 mt -120.16 130.01 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.66 37.89 7.5 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.149 1.779 . . . . 0.0 113.239 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -92.81 172.32 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.268 0.627 . . . . 0.0 110.576 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 156.58 38.38 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.16 0.505 . . . . 0.0 110.637 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.79 -38.1 69.48 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 123.513 0.725 . . . . 0.0 112.796 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.53 -44.56 57.3 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.002 0.819 . . . . 0.0 110.046 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -59.1 -43.17 91.85 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.69 -0.632 . . . . 0.0 109.989 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -62.4 -46.98 86.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -62.05 -40.27 95.18 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.11 76.05 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.148 0.885 . . . . 0.0 110.519 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.54 -48.57 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.824 0.85 . . . . 0.0 109.484 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.22 79.61 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.386 0.539 . . . . 0.0 110.562 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.97 -38.27 87.91 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.489 1.115 . . . . 0.0 111.357 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -67.21 -43.52 81.88 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.188 0.595 . . . . 0.0 111.044 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.99 -32.75 74.41 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.791 -0.568 . . . . 0.0 110.622 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -63.23 -46.76 85.46 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.795 0.725 . . . . 0.0 109.916 171.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.96 -38.72 86.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.325 0.966 . . . . 0.0 111.949 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.31 -48.56 81.16 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.617 -0.677 . . . . 0.0 109.974 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.82 63.24 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -66.17 -28.0 68.44 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.727 1.211 . . . . 0.0 110.596 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.82 16.99 8.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.05 -1.417 . . . . 0.0 113.205 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 59.08 161.52 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.674 2.39 . . . . 0.0 114.487 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -140.61 15.74 2.35 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.928 1.291 . . . . 0.0 111.762 171.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.252 1.199 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.277 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ptm . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.56 0.219 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 178.83 9.6 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.408 1.483 . . . . 0.0 108.24 173.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -119.93 22.68 11.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.613 1.165 . . . . 0.0 110.814 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.54 101.48 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.203 1.401 . . . . 0.0 108.372 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.7 169.85 20.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.481 1.912 . . . . 0.0 107.485 -174.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -39.09 2.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.106 0.962 . . . . 0.0 108.972 169.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.03 160.09 13.77 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.207 2.203 . . . . 0.0 105.354 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.46 -20.28 19.25 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.06 0.846 . . . . 0.0 112.758 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.9 m -49.74 -38.07 32.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.399 1.08 . . . . 0.0 111.339 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -60.43 -49.38 77.78 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.564 1.074 . . . . 0.0 109.556 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.53 -42.95 99.58 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.175 0.59 . . . . 0.0 109.894 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -64.18 -41.11 97.25 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.021 -0.514 . . . . 0.0 111.522 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -75.16 -33.14 61.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.924 1.238 . . . . 0.0 111.382 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.9 -52.19 58.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.75 -47.53 84.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.67 0.388 . . . . 0.0 111.233 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.6 p -83.26 -16.18 47.37 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.11 -14.08 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.652 1.115 . . . . 0.0 113.955 -169.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mt -119.24 -43.37 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 119.371 0.987 . . . . 0.0 109.917 -172.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 pt -132.88 24.74 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.19 -39.4 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -170.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.95 5.75 16.28 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 122.743 1.258 . . . . 0.0 110.965 -177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.18 126.16 51.78 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.53 1.532 . . . . 0.0 110.542 -169.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -154.9 -18.39 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.497 1.519 . . . . 0.0 113.954 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.87 139.78 45.26 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 103.009 -2.96 . . . . 0.0 103.009 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -37.41 67.54 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -168.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.54 -37.92 83.43 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -68.63 -46.44 69.22 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.55 -40.39 96.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.108 -1.037 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.12 77.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.873 0.761 . . . . 0.0 111.042 174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.2 mmt -69.55 -36.66 76.56 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -48.34 86.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.88 -49.84 76.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.738 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.01 -54.6 42.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 112.102 -174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.61 -33.02 66.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.349 0.522 . . . . 0.0 111.172 -172.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -67.09 -39.51 86.79 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.487 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.84 -50.42 71.01 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 116.213 -1.851 . . . . 0.0 109.496 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -52.26 -50.62 61.73 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-N 119.903 1.229 . . . . 0.0 107.855 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.402 12.5 t0 -64.39 -30.63 71.67 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 114.73 -2.788 . . . . 0.0 113.259 -168.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -77.72 -43.89 29.56 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.291 0.637 . . . . 0.0 109.734 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.48 144.01 54.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.192 0.997 . . . . 0.0 109.507 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -126.23 51.03 1.83 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.214 1.406 . . . . 0.0 108.415 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 9.8 p90 -58.41 163.41 4.87 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.785 1.234 . . . . 0.0 111.904 172.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.08 151.1 35.8 Favored 'Cis proline' 0 C--N 1.351 0.7 0 CA-C-N 120.101 1.072 . . . . 0.0 114.286 -6.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -150.67 165.96 31.82 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.26 1.024 . . . . 0.0 109.329 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 ttt -94.22 141.43 28.56 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.351 -0.843 . . . . 0.0 108.943 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.24 175.96 28.21 Favored Glycine 0 C--N 1.334 0.424 0 O-C-N 121.459 -0.776 . . . . 0.0 111.919 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -105.94 122.33 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 169.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.02 110.13 16.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 102.537 -3.134 . . . . 0.0 102.537 168.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -88.77 63.7 6.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -69.65 138.8 53.33 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -169.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.2 144.13 50.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.617 1.099 . . . . 0.0 108.705 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -58.77 158.2 8.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.444 0.697 . . . . 0.0 111.304 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -60.07 -29.67 68.7 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -173.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -145.13 12.71 1.41 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.111 0.869 . . . . 0.0 113.245 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -146.0 162.29 38.18 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.33 1.052 . . . . 0.0 109.351 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -74.94 0.39 15.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.672 1.189 . . . . 0.0 113.109 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.6 p -71.81 -179.48 2.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.986 1.314 . . . . 0.0 110.412 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -127.98 125.67 65.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.08 95.42 9.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 169.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.44 100.24 2.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -96.8 125.25 41.12 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -79.11 129.37 34.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.48 156.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-O 122.318 1.056 . . . . 0.0 110.602 -172.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -103.67 122.55 45.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 168.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.1 111.71 24.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.81 -37.84 62.22 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.93 -178.78 39.89 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.6 mtp -63.76 148.65 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.16 0.505 . . . . 0.0 110.35 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.73 168.0 9.79 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.903 0.881 . . . . 0.0 109.32 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.26 147.32 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.614 2.209 . . . . 0.0 112.234 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -57.66 -31.55 66.43 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.372 0.669 . . . . 0.0 111.343 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.61 -26.42 67.82 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.791 0.836 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -80.25 -29.89 38.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.85 0.46 . . . . 0.0 110.243 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.6 m -92.34 32.39 1.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.295 1.038 . . . . 0.0 113.295 -169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -17.26 59.14 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -136.01 -15.65 1.74 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -170.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -163.98 160.59 22.05 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.8 mmt -96.73 136.98 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -134.28 159.03 42.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.704 0.802 . . . . 0.0 110.577 -174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.55 143.39 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 125.138 1.375 . . . . 0.0 109.275 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -77.87 134.64 37.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 169.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.79 146.31 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -169.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.98 131.98 53.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.18 109.95 16.2 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.05 -24.35 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.75 13.36 66.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.008 1.289 . . . . 0.0 112.031 172.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.7 55.97 0.74 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.259 1.885 . . . . 0.0 108.743 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 68.87 -15.51 0.25 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.72 2.408 . . . . 0.0 114.456 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.3 t70 50.25 32.35 6.08 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.899 1.28 . . . . 0.0 111.696 -171.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.21 7.67 3.39 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.301 1.44 . . . . 0.0 111.788 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.71 160.1 40.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.999 1.32 . . . . 0.0 108.039 170.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 t -132.38 149.97 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 124.335 1.054 . . . . 0.0 108.173 -169.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -140.43 -176.32 4.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.2 2.2 . . . . 0.0 108.469 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -124.86 139.51 53.77 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.36 165.42 21.54 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.665 1.586 . . . . 0.0 107.667 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 137.55 32.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 174.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.28 -31.68 69.33 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 m -62.38 -7.85 5.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.045 2.538 . . . . 0.0 114.031 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -127.58 10.21 6.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.854 1.261 . . . . 0.0 110.643 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.28 148.22 15.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.738 1.615 . . . . 0.0 108.572 -174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -130.54 110.12 11.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 149.97 48.92 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.887 -0.508 . . . . 0.0 110.078 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.07 130.41 72.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 46.89 40.0 8.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.865 1.666 . . . . 0.0 112.806 173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -94.92 170.64 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.323 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.4 157.15 38.3 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.271 0.558 . . . . 0.0 110.723 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.74 -37.73 68.86 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.805 0.842 . . . . 0.0 112.799 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.03 -44.76 60.41 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 110.004 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 m -58.88 -44.21 91.07 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.578 -0.701 . . . . 0.0 109.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.38 -45.3 93.77 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 123.225 0.61 . . . . 0.0 111.587 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.25 76.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.652 0.66 . . . . 0.0 110.46 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.26 -51.68 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.956 0.902 . . . . 0.0 109.468 -177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.18 88.6 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.422 0.555 . . . . 0.0 110.867 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.12 -37.24 83.53 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.346 0.658 . . . . 0.0 111.192 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -63.36 -44.9 93.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.96 0.504 . . . . 0.0 110.664 171.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.08 -31.67 72.94 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.909 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.92 -50.13 72.05 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 119.818 1.19 . . . . 0.0 110.119 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -62.38 -37.15 84.63 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.719 -0.613 . . . . 0.0 111.447 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.27 -53.15 59.27 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.569 -0.707 . . . . 0.0 109.674 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.2 -18.0 63.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.095 0.958 . . . . 0.0 112.703 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -62.73 -16.4 57.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.877 . . . . 0.0 111.871 172.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.91 31.09 33.23 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 51.57 161.74 0.0 OUTLIER 'General case' 0 C--N 1.343 0.287 0 C-N-CA 129.794 3.237 . . . . 0.0 116.561 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -132.75 6.83 4.04 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.758 169.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.896 0.878 . . . . 0.0 108.677 169.242 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 175.55 12.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.397 1.079 . . . . 0.0 110.055 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -133.5 33.27 3.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.563 1.545 . . . . 0.0 109.551 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.24 -35.69 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.912 1.285 . . . . 0.0 111.432 -175.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -159.92 175.37 13.13 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 106.707 170.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 18.45 0.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.023 1.329 . . . . 0.0 113.279 169.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.88 74.71 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.269 1.828 . . . . 0.0 112.859 -172.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -92.03 -12.44 33.18 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -51.13 58.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.282 1.833 . . . . 0.0 111.081 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -73.33 -31.43 63.98 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.243 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.51 -39.59 91.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.887 1.221 . . . . 0.0 110.617 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -64.11 -46.68 83.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.32 0.509 . . . . 0.0 110.45 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.59 -43.38 97.45 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.387 0.54 . . . . 0.0 110.913 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -56.53 -50.95 70.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 124.438 1.095 . . . . 0.0 108.413 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.35 -45.68 90.72 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.495 -177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.9 p -84.46 -22.01 30.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.32 0.964 . . . . 0.0 113.162 -171.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.56 -14.84 7.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -169.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.3 -41.88 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 119.802 1.183 . . . . 0.0 110.566 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -128.43 21.09 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 119.102 0.865 . . . . 0.0 112.731 -172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.31 -35.03 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -113.7 10.63 17.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.392 1.077 . . . . 0.0 110.97 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.79 133.2 56.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.542 1.537 . . . . 0.0 110.648 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pm0 -152.79 -25.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 112.659 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.49 49.06 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 169.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -30.2 70.9 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.077 -174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.07 -44.69 72.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.38 -39.53 74.52 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.414 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -64.85 -44.47 89.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.214 0.915 . . . . 0.0 110.156 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.93 92.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.651 0.66 . . . . 0.0 110.924 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.7 mmt -69.71 -38.01 76.76 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.731 0.696 . . . . 0.0 112.63 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.3 91.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -57.29 -52.83 63.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.93 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.08 -54.26 47.12 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -71.97 -35.54 69.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.997 -172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -67.55 -40.23 84.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.982 0.81 . . . . 0.0 110.377 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.29 -50.03 67.28 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 116.148 -1.882 . . . . 0.0 109.76 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.02 -49.68 62.89 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-N 120.435 1.47 . . . . 0.0 108.568 172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.394 13.1 t0 -64.85 -31.46 72.71 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 114.892 -2.723 . . . . 0.0 113.262 -168.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -75.28 -45.0 42.72 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 123.757 0.661 . . . . 0.0 109.571 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.42 146.73 50.64 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.395 1.078 . . . . 0.0 109.881 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -127.28 53.25 1.74 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.436 1.494 . . . . 0.0 108.03 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 14.1 p90 -58.58 161.68 7.71 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.966 1.306 . . . . 0.0 111.655 174.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.0 151.81 79.75 Favored 'Cis proline' 0 C--N 1.351 0.709 0 CA-C-N 120.239 1.121 . . . . 0.0 112.182 -0.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.76 161.76 41.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -87.61 141.77 28.36 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.386 -0.821 . . . . 0.0 108.894 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.45 169.91 30.37 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 119.302 0.955 . . . . 0.0 111.284 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -98.01 123.96 42.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -82.89 106.07 14.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -105.19 65.88 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.756 1.622 . . . . 0.0 107.689 -174.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.12 112.78 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.499 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.62 123.43 19.68 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 169.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 m -140.93 164.38 30.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.042 0.937 . . . . 0.0 111.494 -169.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 63.99 166.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.124 2.17 . . . . 0.0 112.495 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.21 -23.36 63.96 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.064 -1.022 . . . . 0.0 111.838 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 p -70.37 -11.29 60.81 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.939 1.296 . . . . 0.0 112.543 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m 53.33 34.05 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.998 1.319 . . . . 0.0 111.793 -175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.49 144.43 28.72 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.687 1.595 . . . . 0.0 109.479 -177.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.7 mm -70.33 135.48 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -130.45 132.04 45.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 169.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -128.77 154.44 46.39 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -168.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -136.21 153.59 51.18 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.149 1.78 . . . . 0.0 107.597 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.3 m -97.85 129.21 44.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.27 158.97 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 122.147 0.975 . . . . 0.0 111.279 -169.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -107.98 117.62 34.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.491 -2.411 . . . . 0.0 104.491 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.6 133.81 28.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 175.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.6 -26.68 19.55 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.891 0.476 . . . . 0.0 110.0 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.93 178.2 34.71 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mmm -61.07 145.84 49.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 166.14 20.92 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.781 170.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.12 148.59 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.022 2.481 . . . . 0.0 113.747 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.63 -25.02 62.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.608 0.763 . . . . 0.0 111.452 169.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.98 -23.06 63.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.922 1.289 . . . . 0.0 112.593 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -118.18 -24.44 6.97 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.606 0.762 . . . . 0.0 111.931 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.5 m -69.63 12.24 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.21 -13.62 59.58 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.233 1.413 . . . . 0.0 110.393 169.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 -38.85 6.33 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.286 1.034 . . . . 0.0 111.148 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -164.06 172.01 14.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.752 2.021 . . . . 0.0 105.564 -175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -88.6 133.01 34.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 119.812 1.187 . . . . 0.0 108.112 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -137.82 158.12 45.01 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.394 0.677 . . . . 0.0 110.662 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.24 139.43 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.523 1.529 . . . . 0.0 107.567 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.39 135.73 36.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.15 149.74 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 123.135 0.574 . . . . 0.0 110.347 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.08 135.77 55.12 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.072 1.349 . . . . 0.0 107.628 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -83.46 93.41 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.555 0.742 . . . . 0.0 110.964 -169.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 mt -60.5 -31.76 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.682 0.793 . . . . 0.0 109.053 170.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.62 -26.86 33.04 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.508 1.528 . . . . 0.0 114.045 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.33 -39.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 CA-C-N 119.337 1.569 . . . . 0.0 115.104 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -53.29 23.29 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.018 1.909 . . . . 0.0 109.758 -172.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 48.14 18.97 0.17 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.485 2.314 . . . . 0.0 114.091 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.99 11.75 0.23 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.487 1.115 . . . . 0.0 111.787 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -146.92 160.03 42.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.432 1.093 . . . . 0.0 108.707 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.6 t -132.7 150.44 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.42 1.088 . . . . 0.0 108.612 -169.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -138.38 -179.33 5.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 127.856 2.462 . . . . 0.0 108.233 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.6 m -129.15 139.68 51.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 169.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.72 39.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.56 1.544 . . . . 0.0 107.722 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 142.43 39.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.27 -29.48 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -57.53 -17.51 14.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.682 2.393 . . . . 0.0 114.161 173.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.65 13.31 10.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.496 1.519 . . . . 0.0 109.882 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -119.57 146.66 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 O-C-N 120.744 -1.222 . . . . 0.0 108.676 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.08 136.18 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 169.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.33 157.45 27.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.576 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.61 132.46 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.71 42.82 16.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.879 1.671 . . . . 0.0 113.089 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.28 169.3 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 123.558 0.743 . . . . 0.0 110.796 -176.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.72 159.95 33.0 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.252 0.621 . . . . 0.0 111.168 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.81 -39.09 68.12 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 124.038 0.935 . . . . 0.0 112.802 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.21 -44.77 59.16 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.359 0.981 . . . . 0.0 110.209 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.5 m -60.15 -46.66 88.92 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.313 0.645 . . . . 0.0 109.757 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.27 -40.5 96.12 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.61 -43.94 96.86 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.997 0.817 . . . . 0.0 111.585 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.82 75.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.593 0.633 . . . . 0.0 110.705 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -70.54 -51.54 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.912 0.885 . . . . 0.0 109.355 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.54 84.94 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.95 -41.37 87.28 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.477 1.111 . . . . 0.0 111.078 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.21 -44.26 92.47 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.188 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.71 -34.92 78.93 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.086 0.857 . . . . 0.0 111.614 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -66.38 -43.89 84.61 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.921 1.237 . . . . 0.0 110.802 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.29 -38.09 89.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.159 0.584 . . . . 0.0 111.418 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.04 -50.31 72.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.41 1.484 . . . . 0.0 109.15 176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.7 -23.42 66.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.597 0.759 . . . . 0.0 112.061 174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -68.08 -13.07 61.92 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.106 -0.95 . . . . 0.0 112.55 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.75 54.59 30.19 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -61.92 166.97 4.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.1 0.96 . . . . 0.0 112.447 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -135.22 4.58 3.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.305 1.042 . . . . 0.0 112.667 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 116.107 -1.901 . . . . 0.0 108.083 -169.27 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.73 167.74 19.24 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.77 0.828 . . . . 0.0 111.691 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -122.92 43.59 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.053 1.741 . . . . 0.0 107.699 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.95 -18.6 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.495 1.918 . . . . 0.0 112.803 -169.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -61.68 154.89 24.04 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.821 0.737 . . . . 0.0 110.853 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -54.67 -43.99 72.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.879 0.472 . . . . 0.0 111.759 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 176.99 164.49 0.5 Allowed 'General case' 0 C--O 1.238 0.493 0 C-N-CA 128.891 2.877 . . . . 0.0 104.937 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.77 -15.77 3.59 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -41.64 48.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.331 1.053 . . . . 0.0 111.773 169.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -63.37 -43.54 97.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.659 0.663 . . . . 0.0 110.017 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.54 -34.76 78.63 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.079 0.4 . . . . 0.0 110.487 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.96 -48.15 81.69 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.972 170.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -61.55 -42.98 99.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.623 1.101 . . . . 0.0 110.814 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.3 -52.91 26.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.25 -49.07 75.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.206 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p -88.63 -10.19 49.5 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.449 1.022 . . . . 0.0 113.727 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -127.42 -13.99 5.38 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.476 1.034 . . . . 0.0 113.537 -171.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 mt -121.98 -43.47 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 119.653 1.115 . . . . 0.0 110.098 -176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 pt -124.18 18.94 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.81 -37.81 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -170.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -102.55 0.51 33.59 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.07 0.938 . . . . 0.0 111.727 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.62 146.0 34.05 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.5 1.92 . . . . 0.0 109.912 -169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -175.9 -31.83 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.491 2.316 . . . . 0.0 110.484 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -70.85 139.37 50.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 169.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.69 -30.88 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.518 0.599 . . . . 0.0 112.036 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.46 -43.52 80.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.64 -36.75 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.84 -0.537 . . . . 0.0 110.333 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -59.11 -48.58 81.08 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.458 0.572 . . . . 0.0 109.954 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.99 86.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.626 0.37 . . . . 0.0 110.826 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.18 81.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.81 0.732 . . . . 0.0 112.953 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.44 -48.57 83.28 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -59.24 -48.04 83.12 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.237 172.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.9 -52.26 65.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.314 0.646 . . . . 0.0 111.753 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -72.49 -32.87 66.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.03 -0.51 . . . . 0.0 111.31 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -66.09 -41.79 90.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.098 0.863 . . . . 0.0 110.643 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.45 -52.5 57.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 116.845 -1.55 . . . . 0.0 109.71 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.65 -48.81 63.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-N 119.521 1.055 . . . . 0.0 108.379 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.391 13.9 t0 -64.64 -31.12 72.21 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 115.054 -2.658 . . . . 0.0 113.003 -168.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -75.34 -45.48 39.18 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.803 0.689 . . . . 0.0 109.641 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.88 147.88 45.25 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.527 1.131 . . . . 0.0 110.476 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.57 50.95 2.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.854 1.662 . . . . 0.0 108.395 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -56.86 161.25 4.85 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.852 1.261 . . . . 0.0 111.462 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.14 152.8 80.89 Favored 'Cis proline' 0 C--N 1.352 0.724 0 CA-C-N 120.551 1.232 . . . . 0.0 112.33 0.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -150.26 159.85 44.14 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 122.936 0.494 . . . . 0.0 110.169 175.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.18 142.59 30.22 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.93 167.11 31.07 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 119.605 1.093 . . . . 0.0 112.276 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -95.64 125.35 40.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -82.69 102.62 11.62 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.87 63.04 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -58.57 117.57 4.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.27 1.028 . . . . 0.0 108.897 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -93.59 -26.36 17.14 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 111.474 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 p -69.41 -25.34 64.09 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.803 0.729 . . . . 0.0 112.585 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -57.98 -32.12 67.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.673 0.669 . . . . 0.0 112.088 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -127.71 40.9 3.61 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.878 0.871 . . . . 0.0 109.581 -178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m 52.28 65.18 1.58 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.843 1.257 . . . . 0.0 111.213 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m 65.19 40.82 4.76 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.059 1.343 . . . . 0.0 111.34 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -133.61 135.36 44.18 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 170.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 mm -73.31 140.76 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 109.569 -169.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.51 153.17 51.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.081 -2.562 . . . . 0.0 104.081 168.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -125.38 140.0 53.18 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.389 -0.819 . . . . 0.0 112.248 -168.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -137.83 155.1 49.36 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 169.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.5 m -107.78 125.67 51.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.85 164.77 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.805 0.812 . . . . 0.0 110.329 -169.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -114.48 117.6 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 169.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.52 130.56 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -87.16 -25.26 24.16 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.549 0.34 . . . . 0.0 110.208 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.59 175.75 31.93 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.45 148.69 44.8 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 164.09 20.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.21 161.0 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.395 1.397 . . . . 0.0 111.169 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.47 -28.73 56.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.103 0.961 . . . . 0.0 111.52 171.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.68 -27.25 67.71 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.511 1.124 . . . . 0.0 112.476 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -101.25 -34.02 9.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.692 0.797 . . . . 0.0 110.206 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.5 m -76.67 24.32 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -88.1 2.27 52.38 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.426 1.89 . . . . 0.0 111.795 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -132.51 -37.11 1.07 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.423 1.089 . . . . 0.0 111.311 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -159.94 174.24 14.7 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 126.484 1.913 . . . . 0.0 105.882 169.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -82.44 134.75 35.23 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.883 1.22 . . . . 0.0 108.394 170.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -135.96 159.71 40.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.743 0.817 . . . . 0.0 110.444 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.95 140.05 36.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 125.512 1.525 . . . . 0.0 107.837 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.94 136.17 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.3 146.9 24.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 122.864 0.466 . . . . 0.0 110.043 -172.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.71 123.57 49.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -84.65 86.81 7.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -169.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.95 -43.1 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 124.436 1.095 . . . . 0.0 109.138 -177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.02 -41.35 93.12 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.64 -46.4 7.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.071 -0.849 . . . . 0.0 113.014 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -146.45 -36.13 0.26 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.431 1.115 . . . . 0.0 113.273 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t0 52.33 26.78 4.29 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.776 1.631 . . . . 0.0 112.704 -169.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -151.04 13.4 0.69 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.771 1.229 . . . . 0.0 111.856 -170.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -152.19 162.44 41.13 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.948 1.299 . . . . 0.0 108.434 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 t -135.06 146.7 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -171.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.41 -177.73 5.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 127.453 2.301 . . . . 0.0 108.104 -170.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -129.06 138.61 51.98 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.61 159.59 33.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.619 1.568 . . . . 0.0 107.772 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 139.81 39.88 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 170.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.86 -29.6 70.29 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 168.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 120' ' ' LEU . 4.9 m -60.47 -6.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.207 2.603 . . . . 0.0 114.395 173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.66 10.33 6.6 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.201 1.801 . . . . 0.0 109.921 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -117.47 148.6 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 120.365 -1.46 . . . . 0.0 109.027 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -135.13 127.05 29.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.57 158.71 33.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.819 0.819 . . . . 0.0 110.712 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 76.1 mt -125.48 132.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 125.284 1.434 . . . . 0.0 107.14 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 47.57 44.04 16.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.888 1.675 . . . . 0.0 113.064 173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.25 173.04 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.862 0.865 . . . . 0.0 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.51 159.94 26.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.147 0.975 . . . . 0.0 110.577 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.23 -42.76 95.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.672 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.69 -38.77 73.72 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.402 0.547 . . . . 0.0 110.146 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -61.97 -47.14 86.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -66.25 -33.97 76.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.105 -0.474 . . . . 0.0 111.421 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.09 -39.04 82.98 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 111.391 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.81 88.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.374 0.988 . . . . 0.0 110.554 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.56 -50.28 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.92 86.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.319 0.509 . . . . 0.0 110.74 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 18.5 t70 -59.5 -47.06 86.97 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.979 0.911 . . . . 0.0 111.263 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -63.02 -35.07 79.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.093 -0.479 . . . . 0.0 110.618 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.68 -41.3 62.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.028 0.831 . . . . 0.0 111.101 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 6.6 p90 -72.52 -32.1 65.86 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.789 1.177 . . . . 0.0 110.716 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.159 -0.963 . . . . 0.0 111.371 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.02 -52.17 64.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 173.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.93 -26.65 65.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.567 0.747 . . . . 0.0 112.92 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -60.19 -24.34 64.71 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 0.0 111.751 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 99.45 38.71 3.65 Favored Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -57.95 160.56 4.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.474 1.11 . . . . 0.0 112.584 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -138.89 10.71 2.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -169.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.128 -172.198 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.61 3.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.366 0.666 . . . . 0.0 110.845 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -135.66 27.39 3.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.489 1.516 . . . . 0.0 109.753 172.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.6 m -110.52 -32.58 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 124.681 1.192 . . . . 0.0 110.511 -174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 pm0 -75.51 158.68 32.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.557 1.543 . . . . 0.0 109.54 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -55.77 -42.67 75.84 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.984 0.913 . . . . 0.0 112.565 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -167.49 175.08 7.39 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.266 1.826 . . . . 0.0 106.841 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.79 -4.33 2.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 113.342 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -52.47 -49.86 63.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.427 1.091 . . . . 0.0 109.636 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.88 -36.29 79.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.094 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.56 -45.7 84.82 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.829 1.195 . . . . 0.0 110.182 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -62.18 -47.64 83.58 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.522 0.329 . . . . 0.0 110.974 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 mmm-85 -62.32 -43.14 99.5 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.939 0.79 . . . . 0.0 110.867 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.81 -55.15 21.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -60.6 -41.56 95.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.124 0.57 . . . . 0.0 111.556 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -90.31 -21.14 22.19 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -135.42 -6.93 2.25 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -116.33 -44.03 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 119.607 1.094 . . . . 0.0 109.233 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 pt -130.16 19.31 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 118.834 0.743 . . . . 0.0 112.829 -171.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.67 -38.31 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -175.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -104.71 1.18 29.09 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-O 122.586 1.184 . . . . 0.0 111.471 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.72 135.99 44.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 125.2 1.4 . . . . 0.0 109.564 -169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -149.57 -31.25 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.915 1.686 . . . . 0.0 109.5 169.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.26 142.78 43.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 104.596 -2.372 . . . . 0.0 104.596 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -35.56 66.26 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -168.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.56 -43.93 83.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.6 -42.33 78.35 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 122.91 0.484 . . . . 0.0 110.351 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -57.1 -52.8 63.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.05 91.72 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.5 mmt -63.17 -39.54 94.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.141 0.882 . . . . 0.0 111.668 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.61 70.21 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -55.03 -54.58 41.25 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.68 -46.98 86.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.267 1.427 . . . . 0.0 111.687 -172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -64.61 -45.94 84.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.088 0.404 . . . . 0.0 110.204 -175.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.63 -37.26 68.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.219 0.463 . . . . 0.0 110.993 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.8 -51.48 66.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.828 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -52.13 -50.36 61.86 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.626 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.407 12.0 t0 -64.02 -30.67 71.73 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 114.688 -2.805 . . . . 0.0 113.226 -168.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 m -75.94 -44.65 39.07 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.816 0.698 . . . . 0.0 109.693 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.47 141.02 56.99 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 0.0 109.605 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -123.51 53.4 1.35 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.955 1.302 . . . . 0.0 108.46 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 11.5 p90 -58.54 164.32 4.07 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.24 1.416 . . . . 0.0 111.128 169.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -64.75 149.42 72.98 Favored 'Cis proline' 0 C--N 1.351 0.71 0 CA-C-N 120.303 1.144 . . . . 0.0 111.71 -2.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -146.9 160.58 42.14 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.1 ttt -90.78 143.6 26.57 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.96 177.93 29.52 Favored Glycine 0 N--CA 1.449 -0.442 0 O-C-N 121.56 -0.712 . . . . 0.0 111.382 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.47 126.2 49.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 168.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -83.49 103.54 12.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 169.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -90.55 64.29 5.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.82 114.13 2.63 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.268 1.027 . . . . 0.0 109.397 -171.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.8 -32.29 40.76 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.268 0.486 . . . . 0.0 110.124 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 87.1 0.58 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.183 0.993 . . . . 0.0 110.678 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -138.08 167.64 21.39 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 128.175 2.59 . . . . 0.0 105.469 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -56.93 -24.06 49.78 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.643 0.656 . . . . 0.0 112.39 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 p -86.08 -14.25 44.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.239 1.416 . . . . 0.0 112.668 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m 52.97 39.93 30.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.012 1.325 . . . . 0.0 112.116 -169.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.0 p -133.05 163.29 29.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.934 1.294 . . . . 0.0 109.555 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.04 137.9 22.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 122.164 0.983 . . . . 0.0 108.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -133.27 151.85 51.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 168.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.56 138.13 52.12 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.91 -0.493 . . . . 0.0 110.437 -169.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -137.92 137.58 38.16 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 m -90.34 130.01 36.49 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.05 161.74 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 122.085 0.945 . . . . 0.0 112.302 -168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.33 124.16 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 HG22 ' A' ' 82' ' ' VAL . 3.6 m -90.21 139.95 16.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.14 -22.77 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.288 0.635 . . . . 0.0 110.244 -178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 155.97 178.19 29.91 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 84.3 mmm -61.59 147.7 44.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.55 163.15 21.6 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.091 0.957 . . . . 0.0 110.132 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.24 162.8 28.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.027 1.818 . . . . 0.0 111.474 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -54.46 -28.86 47.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.866 1.267 . . . . 0.0 112.919 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.75 -30.17 71.23 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.595 0.758 . . . . 0.0 111.976 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -88.96 -44.85 10.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.711 0.804 . . . . 0.0 108.912 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.38 4.95 2.54 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.92 -13.1 59.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.309 1.444 . . . . 0.0 111.762 171.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -121.04 -37.54 2.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.627 0.649 . . . . 0.0 111.468 -169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -162.16 163.59 28.34 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mmt -80.35 123.23 27.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.574 1.079 . . . . 0.0 108.393 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -129.87 158.22 40.09 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.149 0.98 . . . . 0.0 109.673 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.86 144.97 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.013 1.725 . . . . 0.0 107.607 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -81.84 130.66 35.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 65' ' ' VAL . 57.9 t -140.82 143.95 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.544 0.738 . . . . 0.0 109.353 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.71 139.4 51.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.001 1.32 . . . . 0.0 108.59 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.71 115.32 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.575 0.75 . . . . 0.0 109.515 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.38 -26.62 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 122.663 0.385 . . . . 0.0 110.253 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.78 -34.15 59.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.399 -0.813 . . . . 0.0 112.098 -174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.61 165.74 31.5 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? 53.39 31.01 11.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.242 1.017 . . . . 0.0 112.537 -169.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -50.83 -38.28 47.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.034 1.334 . . . . 0.0 112.14 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.95 -22.75 65.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.836 0.854 . . . . 0.0 112.641 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -97.49 62.14 1.69 Allowed 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.1 0.96 . . . . 0.0 108.514 -175.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.6 t -52.09 145.2 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 125.014 1.326 . . . . 0.0 110.147 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -121.95 -179.28 4.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.754 2.021 . . . . 0.0 109.397 -172.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -126.41 137.43 53.43 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.76 154.5 47.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.955 1.302 . . . . 0.0 107.771 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.85 137.58 40.54 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 169.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.62 -29.43 51.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.956 0.902 . . . . 0.0 110.578 172.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -56.53 -22.84 35.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.319 1.847 . . . . 0.0 114.169 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.19 7.61 23.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.493 1.117 . . . . 0.0 110.264 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.45 147.37 13.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 122.534 1.159 . . . . 0.0 108.552 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.83 114.13 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 173.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 154.78 41.35 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.51 0.671 . . . . 0.0 110.591 -177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.66 132.28 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.18 42.94 14.0 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.924 1.69 . . . . 0.0 112.912 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.23 172.87 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.706 0.802 . . . . 0.0 110.528 -175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.04 161.21 22.1 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.866 0.841 . . . . 0.0 110.889 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.73 -39.73 92.6 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.876 0.87 . . . . 0.0 110.604 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.35 -43.94 69.17 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.488 0.585 . . . . 0.0 109.915 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.7 m -59.24 -47.97 83.36 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.736 -0.603 . . . . 0.0 109.906 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -66.22 -33.05 74.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.36 -43.24 86.57 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.732 0.813 . . . . 0.0 111.28 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.13 90.38 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.502 0.592 . . . . 0.0 110.315 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -51.17 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.659 0.784 . . . . 0.0 109.4 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.95 93.35 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.329 0.513 . . . . 0.0 110.748 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.49 -40.28 92.89 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.421 0.688 . . . . 0.0 110.936 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -62.01 -42.92 99.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.169 -0.332 . . . . 0.0 110.771 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.24 -40.23 90.1 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.76 -174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.275 3.7 p90 -77.34 -29.08 53.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.763 1.165 . . . . 0.0 112.231 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -60.97 -41.93 97.35 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.974 1.716 . . . . 0.0 109.948 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.8 -47.09 87.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.866 0.866 . . . . 0.0 110.271 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.41 -23.13 65.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -66.58 -15.89 63.76 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.204 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.05 53.55 14.31 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -56.79 165.33 1.23 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.222 1.009 . . . . 0.0 112.144 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -112.8 -24.03 9.81 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 117.653 -1.165 . . . . 0.0 113.916 -169.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 120.082 1.31 . . . . 0.0 110.391 -171.89 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.63 165.28 28.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.64 1.976 . . . . 0.0 107.424 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -100.72 18.79 18.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.963 0.905 . . . . 0.0 111.013 170.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.86 49.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.146 1.778 . . . . 0.0 107.286 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -54.49 -22.51 13.04 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.161 -1.587 . . . . 0.0 114.975 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -3.4 31.6 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.74 -1.07 2.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.92 -28.56 64.38 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.815 -1.178 . . . . 0.0 113.133 -173.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.0 p -54.21 -48.97 70.45 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.121 1.368 . . . . 0.0 110.972 170.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -75.2 -37.92 60.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.984 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -41.19 83.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 120.0 1.273 . . . . 0.0 110.774 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.23 -43.29 99.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.175 0.443 . . . . 0.0 110.643 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -71.78 -32.72 67.94 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.306 -0.871 . . . . 0.0 112.619 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.01 -50.34 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -60.75 -45.14 95.46 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.599 0.76 . . . . 0.0 110.822 -177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 6.73 14.52 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -150.2 -61.13 0.2 Allowed 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.511 1.051 . . . . 0.0 112.798 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mt -69.76 -38.95 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.99 0.516 . . . . 0.0 111.169 -169.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.7 pt -131.26 22.58 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.99 -36.68 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -112.04 4.12 17.84 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 122.617 1.199 . . . . 0.0 111.29 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 125.47 51.16 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.768 1.627 . . . . 0.0 110.908 -169.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -153.49 -20.97 0.14 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.291 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -72.58 137.87 46.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 102.187 -3.264 . . . . 0.0 102.187 168.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -32.15 69.9 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.353 -0.842 . . . . 0.0 113.004 -168.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -65.03 -40.73 95.25 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -70.19 -45.66 66.2 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.566 -0.731 . . . . 0.0 109.669 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -61.48 -42.39 98.72 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.967 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.34 86.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 118.133 0.424 . . . . 0.0 110.732 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -65.95 -40.41 91.32 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.5 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.71 -50.36 68.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -57.56 -50.58 72.62 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.909 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -55.92 -44.95 78.8 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.881 0.872 . . . . 0.0 111.608 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -65.86 -50.76 63.39 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.409 0.55 . . . . 0.0 110.909 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.1 -34.51 73.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.419 0.554 . . . . 0.0 111.217 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.24 -50.52 65.52 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.623 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.41 -47.26 76.2 Favored 'General case' 0 CA--C 1.491 -1.326 0 CA-C-N 120.602 1.546 . . . . 0.0 108.406 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.399 13.1 t0 -64.44 -31.97 73.4 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 114.501 -2.88 . . . . 0.0 112.636 -168.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 -42.03 71.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.661 0.784 . . . . 0.0 110.403 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.98 138.77 48.25 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -120.37 66.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 122.487 1.137 . . . . 0.0 108.166 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -56.17 160.05 5.28 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.564 1.545 . . . . 0.0 112.154 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.94 154.84 96.63 Favored 'Cis proline' 0 C--N 1.348 0.515 0 N-CA-C 110.255 -0.71 . . . . 0.0 110.255 -10.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -146.77 164.43 32.8 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.247 0.619 . . . . 0.0 109.377 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.4 ttt -94.64 145.78 24.6 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.44 171.02 31.03 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 119.101 0.864 . . . . 0.0 112.004 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.3 123.62 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -83.23 106.25 14.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.47 65.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.411 1.484 . . . . 0.0 107.501 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -56.72 125.33 21.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.398 -171.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -70.87 -15.54 62.63 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 m -143.95 157.3 44.44 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 120.167 1.348 . . . . 0.0 110.889 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -148.72 -43.76 0.15 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.762 1.225 . . . . 0.0 109.166 169.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -141.1 -62.27 0.48 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 169.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.17 166.67 21.96 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 168.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -78.5 34.45 0.21 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.396 1.478 . . . . 0.0 111.326 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -83.8 137.76 33.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.77 1.628 . . . . 0.0 109.032 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.28 131.35 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -128.64 131.19 48.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 102.704 -3.073 . . . . 0.0 102.704 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -122.35 144.41 49.04 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -168.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -135.73 148.4 48.82 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 125.608 1.563 . . . . 0.0 107.492 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.5 m -97.49 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 154.28 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.483 1.135 . . . . 0.0 111.35 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -99.0 133.11 43.74 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.27 111.45 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.55 -32.51 36.65 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.223 0.609 . . . . 0.0 112.097 -169.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.29 171.27 33.16 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -170.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.9 mtp -67.33 154.34 41.56 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 169.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 165.73 5.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 122.77 0.428 . . . . 0.0 110.229 169.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.29 154.7 7.75 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.964 2.443 . . . . 0.0 112.5 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.65 -35.9 66.46 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.145 0.578 . . . . 0.0 111.843 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.19 -28.18 68.56 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.197 0.599 . . . . 0.0 112.162 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.49 -29.75 33.56 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.02 0.528 . . . . 0.0 109.876 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.78 7.89 28.32 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.668 0.787 . . . . 0.0 110.978 -173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.34 -8.67 59.63 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 127.41 2.284 . . . . 0.0 111.888 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -130.85 -32.89 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.2 1.0 . . . . 0.0 111.6 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -161.5 164.04 29.91 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.703 1.201 . . . . 0.0 107.944 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -85.26 132.11 34.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.764 1.165 . . . . 0.0 109.765 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -140.06 158.91 43.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 109.874 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.7 143.48 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 125.229 1.411 . . . . 0.0 108.233 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.18 137.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 172.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.7 m -140.07 149.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.747 0.819 . . . . 0.0 109.745 -172.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.52 134.78 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.92 121.31 18.85 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.837 0.455 . . . . 0.0 110.643 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.13 -23.08 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.56 -42.74 94.22 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.204 0.907 . . . . 0.0 112.705 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.88 -31.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.787 0 CA-C-N 117.828 0.814 . . . . 0.0 114.28 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -84.27 34.87 0.52 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.077 1.439 . . . . 0.0 111.255 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.0 -22.01 64.12 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.349 1.46 . . . . 0.0 112.074 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.65 -12.11 31.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 113.043 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -137.09 167.41 21.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.762 1.225 . . . . 0.0 110.084 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.9 t -136.79 150.16 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -171.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -140.28 -176.31 4.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.519 1.928 . . . . 0.0 108.603 -169.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -129.6 141.94 50.85 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.46 153.86 50.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.522 1.529 . . . . 0.0 108.416 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -70.46 137.81 50.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.41 -28.61 68.4 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 m -61.11 -16.52 45.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.808 1.643 . . . . 0.0 113.34 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.78 11.93 12.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.687 1.195 . . . . 0.0 109.057 -174.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.5 144.17 21.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.282 1.033 . . . . 0.0 108.249 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.11 112.99 13.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.18 146.62 52.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.4 mt -115.15 130.36 69.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 107.839 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.3 36.25 4.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.351 1.86 . . . . 0.0 113.343 171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.87 172.03 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.268 0.627 . . . . 0.0 110.413 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 155.91 36.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.802 0.441 . . . . 0.0 110.364 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.33 -39.97 73.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -71.13 -44.25 65.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.954 0.797 . . . . 0.0 109.811 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -59.07 -44.18 91.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.194 0.598 . . . . 0.0 109.781 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -62.2 -43.22 99.32 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.698 -0.626 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.12 -37.41 79.93 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.46 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.0 98.21 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.22 0.918 . . . . 0.0 111.794 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.11 -50.67 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.66 89.87 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.562 0.345 . . . . 0.0 110.403 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.71 -38.49 89.34 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 123.381 0.672 . . . . 0.0 111.858 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -67.1 -37.14 83.4 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.117 -0.364 . . . . 0.0 110.578 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.26 -33.8 76.09 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.503 -0.748 . . . . 0.0 111.002 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.96 -42.71 94.35 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 119.734 1.152 . . . . 0.0 109.945 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -63.08 -36.21 82.81 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.42 1.009 . . . . 0.0 112.107 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.62 -46.85 88.71 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.66 64.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.775 0.83 . . . . 0.0 113.155 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -69.62 -20.26 63.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.443 1.497 . . . . 0.0 110.863 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.79 31.35 49.55 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.746 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.59 168.34 0.09 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 128.089 2.556 . . . . 0.0 114.652 173.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -137.39 2.48 2.49 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.118 . . . . 0.0 112.232 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.531 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_